(5-phenylmethoxyindol-1-yl)methyl 1-methylpyridin-1-ium-3-carboxylate

Systemtic Name: (5-phenylmethoxyindol-1-yl)methyl 1-methylpyridin-1-ium-3-carboxylate Openeye Name: (5-benzyloxyindol-1-yl)methyl 1-methylpyridin-1-ium-3-carboxylate CAS Name: 1-methyl-3-pyridin-1-iumcarboxylic acid (5-phenylmethoxy-1-indolyl)methyl ester IUPAC Name: (5-phenylmethoxyindol-1-yl)methyl 1-methylpyridin-1-ium-3-carboxylate Traditional Name: 1-methylpyridin-1-ium-3-carboxylic acid (5-benzoxyindol-1-yl)methyl ester Formula: C23H21N2O3+ MolecularWeight: 373.42444

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C(=O)OCN2C=CC3=C2C=CC(=C3)OCC4=CC=CC=C4

Isomeric SMILES

C[N+]1=CC=CC(=C1)C(=O)OCN2C=CC3=C2C=CC(=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C23H21N2O3/c1-24-12-5-8-20(15-24)23(26)28-17-25-13-11-19-14-21(9-10-22(19)25)27-16-18-6-3-2-4-7-18/h2-15H,16-17H2,1H3/q+1