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

Systemtic Name: 2-(1-methyl-1-pentyl-indol-1-ium-3-yl)carbonylpyridine-3-carboxylic acid Openeye Name: 2-(1-methyl-1-pentyl-indol-1-ium-3-carbonyl)pyridine-3-carboxylic acid CAS Name: 2-[(1-methyl-1-pentyl-3-indol-1-iumyl)-oxomethyl]-3-pyridinecarboxylic acid IUPAC Name: 2-(1-methyl-1-pentylindol-1-ium-3-carbonyl)pyridine-3-carboxylic acid Traditional Name: 2-(1-amyl-1-methyl-indol-1-ium-3-carbonyl)nicotinic acid Formula: C21H23N2O3+ MolecularWeight: 351.41892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O3/c1-3-4-7-13-23(2)14-17(15-9-5-6-11-18(15)23)20(24)19-16(21(25)26)10-8-12-22-19/h5-6,8-12,14H,3-4,7,13H2,1-2H3/p+1