N,N-diethyl-2-[2-methyl-3-[2-(1-methyl-4-pyridin-1-iumyl)ethenyl]-1-indolyl]acetamide (Q27181471)

MLS001210232 (English)

10 October 2016

chemical formula

C₂₃H₂₈N₃O⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CCN(CC)C(=O)CN1C(=C(C2=CC=CC=C21)C=CC3=CC=[N+](C=C3)C)C

1 reference

MLS001210232 (English)

10 October 2016

isomeric SMILES

CCN(CC)C(=O)CN1C(=C(C2=CC=CC=C21)/C=C/C3=CC=[N+](C=C3)C)C

1 reference

MLS001210232 (English)

InChI=1S/C23H28N3O/c1-5-25(6-2)23(27)17-26-18(3)20(21-9-7-8-10-22(21)26)12-11-19-13-15-24(4)16-14-19/h7-16H,5-6,17H2,1-4H3/q+1

10 October 2016

Identifiers

InChI

1 reference

MLS001210232 (English)

JMQIUTULSXUGLC-UHFFFAOYSA-N

10 October 2016

InChIKey

2 references

MLS001210232 (English)

10 October 2016

stated in

ChEBI release 2020-09-01

1 reference

4-[(E)-2-{1-[2-(Diethylamino)-2-oxoethyl]-2-methyl-1H-indol-3-yl}vinyl]-1-methylpyridinium (English)

10 October 2016

2 references

MLS001210232 (English)

matched by identifier from

10 October 2016

InChIKey

JMQIUTULSXUGLC-UHFFFAOYSA-N

ChEBI ID

104154

mapping relation type

2 references

N,N-diethyl-2-[2-methyl-3-[2-(1-methyl-4-pyridin-1-iumyl)ethenyl]-1-indolyl]acetamide (English)

matched by identifier from

10 October 2016

International Chemical Identifier

InChI

InChI=1S/C23H28N3O/c1-5-25(6-2)23(27)17-26-18(3)20(21-9-7-8-10-22(21)26)12-11-19-13-15-24(4)16-14-19/h7-16H,5-6,17H2,1-4H3/q+1

1 reference