2-[(1-methylpyridin-1-ium-3-yl)carbonylamino]ethyl benzoate

Systemtic Name: 2-[(1-methylpyridin-1-ium-3-yl)carbonylamino]ethyl benzoate Openeye Name: 2-[(1-methylpyridin-1-ium-3-carbonyl)amino]ethyl benzoate CAS Name: benzoic acid 2-[[(1-methyl-3-pyridin-1-iumyl)-oxomethyl]amino]ethyl ester IUPAC Name: 2-[(1-methylpyridin-1-ium-3-carbonyl)amino]ethyl benzoate Traditional Name: benzoic acid 2-[(1-methylpyridin-1-ium-3-carbonyl)amino]ethyl ester Formula: C16H17N2O3+ MolecularWeight: 285.31778

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C(=O)NCCOC(=O)C2=CC=CC=C2

Isomeric SMILES

C[N+]1=CC=CC(=C1)C(=O)NCCOC(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H16N2O3/c1-18-10-5-8-14(12-18)15(19)17-9-11-21-16(20)13-6-3-2-4-7-13/h2-8,10,12H,9,11H2,1H3/p+1