methyl 1-[8-(1-methylpyridin-1-ium-3-yl)carbonyloxyoctyl]-5-phenylmethoxy-indole-2-carboxylate

Systemtic Name: methyl 1-[8-(1-methylpyridin-1-ium-3-yl)carbonyloxyoctyl]-5-phenylmethoxy-indole-2-carboxylate Openeye Name: methyl 5-benzyloxy-1-[8-(1-methylpyridin-1-ium-3-carbonyl)oxyoctyl]indole-2-carboxylate CAS Name: 1-[8-[(1-methyl-3-pyridin-1-iumyl)-oxomethoxy]octyl]-5-phenylmethoxy-2-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[8-(1-methylpyridin-1-ium-3-carbonyl)oxyoctyl]-5-phenylmethoxyindole-2-carboxylate Traditional Name: 5-benzoxy-1-[8-(1-methylpyridin-1-ium-3-carbonyl)oxyoctyl]indole-2-carboxylic acid methyl ester Formula: C32H37N2O5+ MolecularWeight: 529.64658

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C(=O)OCCCCCCCCN2C3=C(C=C(C=C3)OCC4=CC=CC=C4)C=C2C(=O)OC

Isomeric SMILES

C[N+]1=CC=CC(=C1)C(=O)OCCCCCCCCN2C3=C(C=C(C=C3)OCC4=CC=CC=C4)C=C2C(=O)OC

InChI

InChI=1S/C32H37N2O5/c1-33-18-12-15-26(23-33)31(35)38-20-11-6-4-3-5-10-19-34-29-17-16-28(39-24-25-13-8-7-9-14-25)21-27(29)22-30(34)32(36)37-2/h7-9,12-18,21-23H,3-6,10-11,19-20,24H2,1-2H3/q+1