methyl 4-[[3-[(phenylmethyl)carbamoyl]pyridin-1-ium-1-yl]methyl]benzoate chloride

Systemtic Name: methyl 4-[[3-[(phenylmethyl)carbamoyl]pyridin-1-ium-1-yl]methyl]benzoate chloride Openeye Name: methyl 4-[[3-(benzylcarbamoyl)pyridin-1-ium-1-yl]methyl]benzoate chloride CAS Name: 4-[[3-[oxo-[(phenylmethyl)amino]methyl]-1-pyridin-1-iumyl]methyl]benzoic acid methyl ester chloride IUPAC Name: methyl 4-[[3-(benzylcarbamoyl)pyridin-1-ium-1-yl]methyl]benzoate chloride Traditional Name: 4-[[3-(benzylcarbamoyl)pyridin-1-ium-1-yl]methyl]benzoic acid methyl ester chloride Formula: C22H21ClN2O3 MolecularWeight: 396.86674

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C[N+]2=CC=CC(=C2)C(=O)NCC3=CC=CC=C3.[Cl-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C[N+]2=CC=CC(=C2)C(=O)NCC3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C22H20N2O3.ClH/c1-27-22(26)19-11-9-18(10-12-19)15-24-13-5-8-20(16-24)21(25)23-14-17-6-3-2-4-7-17;/h2-13,16H,14-15H2,1H3;1H