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

Systemtic Name: methyl 1-[(1-methylpyridin-1-ium-3-yl)carbonyloxymethyl]-5-phenylmethoxy-indole-2-carboxylate Openeye Name: methyl 5-benzyloxy-1-[(1-methylpyridin-1-ium-3-carbonyl)oxymethyl]indole-2-carboxylate CAS Name: 1-[[(1-methyl-3-pyridin-1-iumyl)-oxomethoxy]methyl]-5-phenylmethoxy-2-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[(1-methylpyridin-1-ium-3-carbonyl)oxymethyl]-5-phenylmethoxyindole-2-carboxylate Traditional Name: 5-benzoxy-1-[(1-methylpyridin-1-ium-3-carbonyl)oxymethyl]indole-2-carboxylic acid methyl ester Formula: C25H23N2O5+ MolecularWeight: 431.46052

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C(=O)OCN2C3=C(C=C(C=C3)OCC4=CC=CC=C4)C=C2C(=O)OC

Isomeric SMILES

C[N+]1=CC=CC(=C1)C(=O)OCN2C3=C(C=C(C=C3)OCC4=CC=CC=C4)C=C2C(=O)OC

InChI

InChI=1S/C25H23N2O5/c1-26-12-6-9-19(15-26)24(28)32-17-27-22-11-10-21(31-16-18-7-4-3-5-8-18)13-20(22)14-23(27)25(29)30-2/h3-15H,16-17H2,1-2H3/q+1