(Q82656076)

English

(1R,2R)-1-[(3,4-Dimethoxyphenyl)methyl]-2-{3-[(5-hydroxypentyl)oxy]-3-oxopropyl}-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium

chemical compound

In more languages

edit

Statements

instance of

type of chemical entity

0 references

subclass of

chemical compound

0 references

mass

516.2955791040898 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₉H₄₂NO₇⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

COc1ccc(CC2c3cc(OC)c(OC)cc3CC[N+]2(C)CCC(=O)OCCCCCO)cc1OC

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

C[N@@+]1(CCC2=CC(=C(C=C2[C@H]1CC3=CC(=C(C=C3)OC)OC)OC)OC)CCC(=O)OCCCCCO

0 references

Identifiers

InChI

InChI=1S/C29H42NO7/c1-30(14-12-29(32)37-16-8-6-7-15-31)13-11-22-19-27(35-4)28(36-5)20-23(22)24(30)17-21-9-10-25(33-2)26(18-21)34-3/h9-10,18-20,24,31H,6-8,11-17H2,1-5H3/q+1/t24-,30-/m1/s1

0 references

InChIKey

XFGQBTJDTYNZPQ-AYWVHJORSA-N

0 references

0 references

2 references

26 December 2021

matched by identifier from

InChIKey

XFGQBTJDTYNZPQ-AYWVHJORSA-N

1 reference

1 reference

matched by identifier from

InChIKey

XFGQBTJDTYNZPQ-AYWVHJORSA-N

DSSTOX compound identifier

DTXCID00668689

0 references

UNII

NP9AQY9BY1

1 reference

matched by identifier from

InChIKey

XFGQBTJDTYNZPQ-AYWVHJORSA-N

(Q82656076)

(1R,2R)-1-[(3,4-Dimethoxyphenyl)methyl]-2-{3-[(5-hydroxypentyl)oxy]-3-oxopropyl}-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium

Statements

Identifiers

Sitelinks

Wikipedia(0 entries)

Wikibooks(0 entries)

Wikinews(0 entries)

Wikiquote(0 entries)

Wikisource(0 entries)

Wikiversity(0 entries)

Wikivoyage(0 entries)

Wiktionary(0 entries)

Multilingual sites(0 entries)