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

Systemtic Name: methyl 3-[[1-(phenylmethyl)pyridin-1-ium-4-yl]carbonylamino]benzoate Openeye Name: methyl 3-[(1-benzylpyridin-1-ium-4-carbonyl)amino]benzoate CAS Name: 3-[[oxo-[1-(phenylmethyl)-4-pyridin-1-iumyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[(1-benzylpyridin-1-ium-4-carbonyl)amino]benzoate Traditional Name: 3-[(1-benzylpyridin-1-ium-4-carbonyl)amino]benzoic acid methyl ester Formula: C21H19N2O3+ MolecularWeight: 347.38716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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