(phenylmethyl) 2-[(1-methylpyridin-1-ium-3-yl)carbonylamino]butanoate

Systemtic Name: (phenylmethyl) 2-[(1-methylpyridin-1-ium-3-yl)carbonylamino]butanoate Openeye Name: benzyl 2-[(1-methylpyridin-1-ium-3-carbonyl)amino]butanoate CAS Name: 2-[[(1-methyl-3-pyridin-1-iumyl)-oxomethyl]amino]butanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(1-methylpyridin-1-ium-3-carbonyl)amino]butanoate Traditional Name: 2-[(1-methylpyridin-1-ium-3-carbonyl)amino]butyric acid benzyl ester Formula: C18H21N2O3+ MolecularWeight: 313.37094

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC1=CC=CC=C1)NC(=O)C2=C[N+](=CC=C2)C

Isomeric SMILES

CCC(C(=O)OCC1=CC=CC=C1)NC(=O)C2=C[N+](=CC=C2)C

InChI

InChI=1S/C18H20N2O3/c1-3-16(18(22)23-13-14-8-5-4-6-9-14)19-17(21)15-10-7-11-20(2)12-15/h4-12,16H,3,13H2,1-2H3/p+1