[(4-nitrophenyl)carbonylamino]methyl-[1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl]azanium

Systemtic Name: [(4-nitrophenyl)carbonylamino]methyl-[1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl]azanium Openeye Name: [2-(benzylamino)-1-methyl-2-oxo-ethyl]-[[(4-nitrobenzoyl)amino]methyl]ammonium CAS Name: [[(4-nitrophenyl)-oxomethyl]amino]methyl-[1-oxo-1-[(phenylmethyl)amino]propan-2-yl]ammonium IUPAC Name: [1-(benzylamino)-1-oxopropan-2-yl]-[[(4-nitrobenzoyl)amino]methyl]azanium Traditional Name: [2-(benzylamino)-2-keto-1-methyl-ethyl]-[[(4-nitrobenzoyl)amino]methyl]ammonium Formula: C18H21N4O4+ MolecularWeight: 357.38374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1)[NH2+]CNC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NCC1=CC=CC=C1)[NH2+]CNC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O4/c1-13(17(23)19-11-14-5-3-2-4-6-14)20-12-21-18(24)15-7-9-16(10-8-15)22(25)26/h2-10,13,20H,11-12H2,1H3,(H,19,23)(H,21,24)/p+1