9-indol-1-ylnonyl 1-methylpyridin-1-ium-3-carboxylate

Systemtic Name: 9-indol-1-ylnonyl 1-methylpyridin-1-ium-3-carboxylate Openeye Name: 9-indol-1-ylnonyl 1-methylpyridin-1-ium-3-carboxylate CAS Name: 1-methyl-3-pyridin-1-iumcarboxylic acid 9-(1-indolyl)nonyl ester IUPAC Name: 9-indol-1-ylnonyl 1-methylpyridin-1-ium-3-carboxylate Traditional Name: 1-methylpyridin-1-ium-3-carboxylic acid 9-indol-1-ylnonyl ester Formula: C24H31N2O2+ MolecularWeight: 379.51514

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C(=O)OCCCCCCCCCN2C=CC3=CC=CC=C32

Isomeric SMILES

C[N+]1=CC=CC(=C1)C(=O)OCCCCCCCCCN2C=CC3=CC=CC=C32

InChI

InChI=1S/C24H31N2O2/c1-25-16-11-13-22(20-25)24(27)28-19-10-6-4-2-3-5-9-17-26-18-15-21-12-7-8-14-23(21)26/h7-8,11-16,18,20H,2-6,9-10,17,19H2,1H3/q+1