[(2S)-1-[(4-methoxy-2-nitro-phenyl)carbamoylamino]-3-phenyl-propan-2-yl]-dimethyl-azanium

Systemtic Name: [(2S)-1-[(4-methoxy-2-nitro-phenyl)carbamoylamino]-3-phenyl-propan-2-yl]-dimethyl-azanium Openeye Name: [(1S)-1-benzyl-2-[(4-methoxy-2-nitro-phenyl)carbamoylamino]ethyl]-dimethyl-ammonium CAS Name: [(2S)-1-[[(4-methoxy-2-nitroanilino)-oxomethyl]amino]-3-phenylpropan-2-yl]-dimethylammonium IUPAC Name: [(2S)-1-[(4-methoxy-2-nitrophenyl)carbamoylamino]-3-phenylpropan-2-yl]-dimethylazanium Traditional Name: [(1S)-1-benzyl-2-[(4-methoxy-2-nitro-phenyl)carbamoylamino]ethyl]-dimethyl-ammonium Formula: C19H25N4O4+ MolecularWeight: 373.4262

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CC1=CC=CC=C1)CNC(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

C[NH+](C)[C@@H](CC1=CC=CC=C1)CNC(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H24N4O4/c1-22(2)15(11-14-7-5-4-6-8-14)13-20-19(24)21-17-10-9-16(27-3)12-18(17)23(25)26/h4-10,12,15H,11,13H2,1-3H3,(H2,20,21,24)/p+1/t15-/m0/s1