(Q27145675)

(R)-laudanine (English)

8 October 2016

chemical formula

C₂₀H₂₆NO₄⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

C[NH+]1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)O)OC)OC

1 reference

(R)-laudanine (English)

8 October 2016

isomeric SMILES

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

1 reference

(R)-laudanine (English)

InChI=1S/C20H25NO4/c1-21-8-7-14-11-19(24-3)20(25-4)12-15(14)16(21)9-13-5-6-18(23-2)17(22)10-13/h5-6,10-12,16,22H,7-9H2,1-4H3/p+1/t16-/m1/s1

8 October 2016

Identifiers

InChI

1 reference

(R)-laudanine (English)

MPYHGNAJOKCMAQ-MRXNPFEDSA-O

8 October 2016

InChIKey

2 references

(R)-laudanine (English)

8 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(1R)-1-(3-Hydroxy-4-methoxybenzyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolinium (English)

8 October 2016

2 references

(R)-laudanine (English)

matched by identifier from

8 October 2016

InChIKey

MPYHGNAJOKCMAQ-MRXNPFEDSA-O

ChEBI ID

76001

mapping relation type

2 references

(R)-laudanine(1+) (English)