8-(5-methoxyindol-1-yl)octyl 1-methylpyridin-1-ium-3-carboxylate

Systemtic Name: 8-(5-methoxyindol-1-yl)octyl 1-methylpyridin-1-ium-3-carboxylate Openeye Name: 8-(5-methoxyindol-1-yl)octyl 1-methylpyridin-1-ium-3-carboxylate CAS Name: 1-methyl-3-pyridin-1-iumcarboxylic acid 8-(5-methoxy-1-indolyl)octyl ester IUPAC Name: 8-(5-methoxyindol-1-yl)octyl 1-methylpyridin-1-ium-3-carboxylate Traditional Name: 1-methylpyridin-1-ium-3-carboxylic acid 8-(5-methoxyindol-1-yl)octyl ester Formula: C24H31N2O3+ MolecularWeight: 395.51454

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C(=O)OCCCCCCCCN2C=CC3=C2C=CC(=C3)OC

Isomeric SMILES

C[N+]1=CC=CC(=C1)C(=O)OCCCCCCCCN2C=CC3=C2C=CC(=C3)OC

InChI

InChI=1S/C24H31N2O3/c1-25-14-9-10-21(19-25)24(27)29-17-8-6-4-3-5-7-15-26-16-13-20-18-22(28-2)11-12-23(20)26/h9-14,16,18-19H,3-8,15,17H2,1-2H3/q+1