methyl 1-[7-(1-methylpyridin-1-ium-3-yl)carbonyloxyheptyl]-5-phenylmethoxy-indole-2-carboxylate

Systemtic Name: methyl 1-[7-(1-methylpyridin-1-ium-3-yl)carbonyloxyheptyl]-5-phenylmethoxy-indole-2-carboxylate Openeye Name: methyl 5-benzyloxy-1-[7-(1-methylpyridin-1-ium-3-carbonyl)oxyheptyl]indole-2-carboxylate CAS Name: 1-[7-[(1-methyl-3-pyridin-1-iumyl)-oxomethoxy]heptyl]-5-phenylmethoxy-2-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[7-(1-methylpyridin-1-ium-3-carbonyl)oxyheptyl]-5-phenylmethoxyindole-2-carboxylate Traditional Name: 5-benzoxy-1-[7-(1-methylpyridin-1-ium-3-carbonyl)oxyheptyl]indole-2-carboxylic acid methyl ester Formula: C31H35N2O5+ MolecularWeight: 515.62

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C(=O)OCCCCCCCN2C3=C(C=C(C=C3)OCC4=CC=CC=C4)C=C2C(=O)OC

Isomeric SMILES

C[N+]1=CC=CC(=C1)C(=O)OCCCCCCCN2C3=C(C=C(C=C3)OCC4=CC=CC=C4)C=C2C(=O)OC

InChI

InChI=1S/C31H35N2O5/c1-32-17-11-14-25(22-32)30(34)37-19-10-5-3-4-9-18-33-28-16-15-27(38-23-24-12-7-6-8-13-24)20-26(28)21-29(33)31(35)36-2/h6-8,11-17,20-22H,3-5,9-10,18-19,23H2,1-2H3/q+1