7-indol-1-ylheptyl 1-methylpyridin-1-ium-3-carboxylate

Systemtic Name: 7-indol-1-ylheptyl 1-methylpyridin-1-ium-3-carboxylate Openeye Name: 7-indol-1-ylheptyl 1-methylpyridin-1-ium-3-carboxylate CAS Name: 1-methyl-3-pyridin-1-iumcarboxylic acid 7-(1-indolyl)heptyl ester IUPAC Name: 7-indol-1-ylheptyl 1-methylpyridin-1-ium-3-carboxylate Traditional Name: 1-methylpyridin-1-ium-3-carboxylic acid 7-indol-1-ylheptyl ester Formula: C22H27N2O2+ MolecularWeight: 351.46198

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C(=O)OCCCCCCCN2C=CC3=CC=CC=C32

Isomeric SMILES

C[N+]1=CC=CC(=C1)C(=O)OCCCCCCCN2C=CC3=CC=CC=C32

InChI

InChI=1S/C22H27N2O2/c1-23-14-9-11-20(18-23)22(25)26-17-8-4-2-3-7-15-24-16-13-19-10-5-6-12-21(19)24/h5-6,9-14,16,18H,2-4,7-8,15,17H2,1H3/q+1