2-(1-methyl-1-octyl-indol-1-ium-3-yl)carbonylpyridine-3-carboxylic acid

Systemtic Name: 2-(1-methyl-1-octyl-indol-1-ium-3-yl)carbonylpyridine-3-carboxylic acid Openeye Name: 2-(1-methyl-1-octyl-indol-1-ium-3-carbonyl)pyridine-3-carboxylic acid CAS Name: 2-[(1-methyl-1-octyl-3-indol-1-iumyl)-oxomethyl]-3-pyridinecarboxylic acid IUPAC Name: 2-(1-methyl-1-octylindol-1-ium-3-carbonyl)pyridine-3-carboxylic acid Traditional Name: 2-(1-methyl-1-octyl-indol-1-ium-3-carbonyl)nicotinic acid Formula: C24H29N2O3+ MolecularWeight: 393.49866

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+]1(C=C(C2=CC=CC=C21)C(=O)C3=C(C=CC=N3)C(=O)O)C

Isomeric SMILES

CCCCCCCC[N+]1(C=C(C2=CC=CC=C21)C(=O)C3=C(C=CC=N3)C(=O)O)C

InChI

InChI=1S/C24H28N2O3/c1-3-4-5-6-7-10-16-26(2)17-20(18-12-8-9-14-21(18)26)23(27)22-19(24(28)29)13-11-15-25-22/h8-9,11-15,17H,3-7,10,16H2,1-2H3/p+1