(Q27274220)

Pentacynium chloride (English)

14 October 2016

chemical formula

C₂₇H₃₉Cl₂N₃O

1 reference

Pentacynium chloride (English)

14 October 2016

canonical SMILES

C[N+]1(CCOCC1)CC[N+](C)(C)CCCCC(C#N)(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-].[Cl-]

1 reference

Pentacynium chloride (English)

InChI=1S/C27H39N3O.2ClH/c1-29(2,18-19-30(3)20-22-31-23-21-30)17-11-10-16-27(24-28,25-12-6-4-7-13-25)26-14-8-5-9-15-26;;/h4-9,12-15H,10-11,16-23H2,1-3H3;2*1H/q+2;;/p-2

14 October 2016

Identifiers

InChI

1 reference

Pentacynium chloride (English)

KQULNVINMHYPGH-UHFFFAOYSA-L

14 October 2016

InChIKey

1 reference

Global Substance Registration System

Pentacynium chloride (English)

14 October 2016

1 reference

UNII

B08O4ROE04

pentacynium chloride (English)

14 October 2016

1 reference

Pentacynium chloride (English)

14 October 2016

1 reference

Pentacynium chloride (English)

14 October 2016

1 reference

ChEBI release 2019-10-02

1 reference

DSSTOX compound identifier

PENTACYNIUM CHLORIDE (English)

14 October 2016

1 reference

0 references

0 references

1 reference

Global Substance Registration System

UNII

B08O4ROE04

pentacynium chloride (English)