(phenylmethyl) N-[1-azanyl-3-(1-methylpyridin-1-ium-3-yl)-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[1-azanyl-3-(1-methylpyridin-1-ium-3-yl)-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: benzyl N-[2-amino-1-[(1-methylpyridin-1-ium-3-yl)methyl]-2-oxo-ethyl]carbamate CAS Name: N-[1-amino-3-(1-methyl-3-pyridin-1-iumyl)-1-oxopropan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[1-amino-3-(1-methylpyridin-1-ium-3-yl)-1-oxopropan-2-yl]carbamate Traditional Name: N-[2-amino-2-keto-1-[(1-methylpyridin-1-ium-3-yl)methyl]ethyl]carbamic acid benzyl ester Formula: C17H20N3O3+ MolecularWeight: 314.359

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)CC(C(=O)N)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

C[N+]1=CC=CC(=C1)CC(C(=O)N)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C17H19N3O3/c1-20-9-5-8-14(11-20)10-15(16(18)21)19-17(22)23-12-13-6-3-2-4-7-13/h2-9,11,15H,10,12H2,1H3,(H2-,18,19,21,22)/p+1