7-(2-methyl-5-phenylmethoxy-indol-1-yl)heptyl 1-methylpyridin-1-ium-3-carboxylate

Systemtic Name: 7-(2-methyl-5-phenylmethoxy-indol-1-yl)heptyl 1-methylpyridin-1-ium-3-carboxylate Openeye Name: 7-(5-benzyloxy-2-methyl-indol-1-yl)heptyl 1-methylpyridin-1-ium-3-carboxylate CAS Name: 1-methyl-3-pyridin-1-iumcarboxylic acid 7-(2-methyl-5-phenylmethoxy-1-indolyl)heptyl ester IUPAC Name: 7-(2-methyl-5-phenylmethoxyindol-1-yl)heptyl 1-methylpyridin-1-ium-3-carboxylate Traditional Name: 1-methylpyridin-1-ium-3-carboxylic acid 7-(5-benzoxy-2-methyl-indol-1-yl)heptyl ester Formula: C30H35N2O3+ MolecularWeight: 471.6105

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(N1CCCCCCCOC(=O)C3=C[N+](=CC=C3)C)C=CC(=C2)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(N1CCCCCCCOC(=O)C3=C[N+](=CC=C3)C)C=CC(=C2)OCC4=CC=CC=C4

InChI

InChI=1S/C30H35N2O3/c1-24-20-27-21-28(35-23-25-12-7-6-8-13-25)15-16-29(27)32(24)18-9-4-3-5-10-19-34-30(33)26-14-11-17-31(2)22-26/h6-8,11-17,20-22H,3-5,9-10,18-19,23H2,1-2H3/q+1