9-(5-phenylmethoxyindol-1-yl)nonyl 1-methylpyridin-1-ium-3-carboxylate

Systemtic Name: 9-(5-phenylmethoxyindol-1-yl)nonyl 1-methylpyridin-1-ium-3-carboxylate Openeye Name: 9-(5-benzyloxyindol-1-yl)nonyl 1-methylpyridin-1-ium-3-carboxylate CAS Name: 1-methyl-3-pyridin-1-iumcarboxylic acid 9-(5-phenylmethoxy-1-indolyl)nonyl ester IUPAC Name: 9-(5-phenylmethoxyindol-1-yl)nonyl 1-methylpyridin-1-ium-3-carboxylate Traditional Name: 1-methylpyridin-1-ium-3-carboxylic acid 9-(5-benzoxyindol-1-yl)nonyl ester Formula: C31H37N2O3+ MolecularWeight: 485.63708

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C(=O)OCCCCCCCCCN2C=CC3=C2C=CC(=C3)OCC4=CC=CC=C4

Isomeric SMILES

C[N+]1=CC=CC(=C1)C(=O)OCCCCCCCCCN2C=CC3=C2C=CC(=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C31H37N2O3/c1-32-19-12-15-28(24-32)31(34)35-22-11-6-4-2-3-5-10-20-33-21-18-27-23-29(16-17-30(27)33)36-25-26-13-8-7-9-14-26/h7-9,12-19,21,23-24H,2-6,10-11,20,22,25H2,1H3/q+1