propan-2-yl (3S)-3-(2-chlorophenyl)-3-[(1-oxidanidylpyridin-1-ium-3-yl)carbonylamino]propanoate

Systemtic Name: propan-2-yl (3S)-3-(2-chlorophenyl)-3-[(1-oxidanidylpyridin-1-ium-3-yl)carbonylamino]propanoate Openeye Name: isopropyl (3S)-3-(2-chlorophenyl)-3-[(1-oxidopyridin-1-ium-3-carbonyl)amino]propanoate CAS Name: (3S)-3-(2-chlorophenyl)-3-[[(1-oxido-3-pyridin-1-iumyl)-oxomethyl]amino]propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl (3S)-3-(2-chlorophenyl)-3-[(1-oxidopyridin-1-ium-3-carbonyl)amino]propanoate Traditional Name: (3S)-3-(2-chlorophenyl)-3-[(1-oxidopyridin-1-ium-3-carbonyl)amino]propionic acid isopropyl ester Formula: C18H19ClN2O4 MolecularWeight: 362.80746

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CC(C1=CC=CC=C1Cl)NC(=O)C2=C[N+](=CC=C2)[O-]

Isomeric SMILES

CC(C)OC(=O)C[C@@H](C1=CC=CC=C1Cl)NC(=O)C2=C[N+](=CC=C2)[O-]

InChI

InChI=1S/C18H19ClN2O4/c1-12(2)25-17(22)10-16(14-7-3-4-8-15(14)19)20-18(23)13-6-5-9-21(24)11-13/h3-9,11-12,16H,10H2,1-2H3,(H,20,23)/t16-/m0/s1