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

Systemtic Name: methyl 4-[[1-(phenylmethyl)pyridin-1-ium-4-yl]carbonylamino]benzoate chloride Openeye Name: methyl 4-[(1-benzylpyridin-1-ium-4-carbonyl)amino]benzoate chloride CAS Name: 4-[[oxo-[1-(phenylmethyl)-4-pyridin-1-iumyl]methyl]amino]benzoic acid methyl ester chloride IUPAC Name: methyl 4-[(1-benzylpyridin-1-ium-4-carbonyl)amino]benzoate chloride Traditional Name: 4-[(1-benzylpyridin-1-ium-4-carbonyl)amino]benzoic acid methyl ester chloride Formula: C21H19ClN2O3 MolecularWeight: 382.84016

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=[N+](C=C2)CC3=CC=CC=C3.[Cl-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=[N+](C=C2)CC3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C21H18N2O3.ClH/c1-26-21(25)18-7-9-19(10-8-18)22-20(24)17-11-13-23(14-12-17)15-16-5-3-2-4-6-16;/h2-14H,15H2,1H3;1H