8-(2-methyl-5-phenylmethoxy-indol-1-yl)octyl 1-methylpyridin-1-ium-3-carboxylate

Systemtic Name: 8-(2-methyl-5-phenylmethoxy-indol-1-yl)octyl 1-methylpyridin-1-ium-3-carboxylate Openeye Name: 8-(5-benzyloxy-2-methyl-indol-1-yl)octyl 1-methylpyridin-1-ium-3-carboxylate CAS Name: 1-methyl-3-pyridin-1-iumcarboxylic acid 8-(2-methyl-5-phenylmethoxy-1-indolyl)octyl ester IUPAC Name: 8-(2-methyl-5-phenylmethoxyindol-1-yl)octyl 1-methylpyridin-1-ium-3-carboxylate Traditional Name: 1-methylpyridin-1-ium-3-carboxylic acid 8-(5-benzoxy-2-methyl-indol-1-yl)octyl ester Formula: C31H37N2O3+ MolecularWeight: 485.63708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(N1CCCCCCCCOC(=O)C3=C[N+](=CC=C3)C)C=CC(=C2)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(N1CCCCCCCCOC(=O)C3=C[N+](=CC=C3)C)C=CC(=C2)OCC4=CC=CC=C4

InChI

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