dimethyl-[(2S)-2-[[4-(methylamino)-3-nitro-phenyl]carbonylamino]-2-phenyl-ethyl]azanium

Systemtic Name: dimethyl-[(2S)-2-[[4-(methylamino)-3-nitro-phenyl]carbonylamino]-2-phenyl-ethyl]azanium Openeye Name: dimethyl-[(2S)-2-[[4-(methylamino)-3-nitro-benzoyl]amino]-2-phenyl-ethyl]ammonium CAS Name: dimethyl-[(2S)-2-[[[4-(methylamino)-3-nitrophenyl]-oxomethyl]amino]-2-phenylethyl]ammonium IUPAC Name: dimethyl-[(2S)-2-[[4-(methylamino)-3-nitrobenzoyl]amino]-2-phenylethyl]azanium Traditional Name: dimethyl-[(2S)-2-[[4-(methylamino)-3-nitro-benzoyl]amino]-2-phenyl-ethyl]ammonium Formula: C18H23N4O3+ MolecularWeight: 343.40022

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)NC(C[NH+](C)C)C2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)N[C@H](C[NH+](C)C)C2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O3/c1-19-15-10-9-14(11-17(15)22(24)25)18(23)20-16(12-21(2)3)13-7-5-4-6-8-13/h4-11,16,19H,12H2,1-3H3,(H,20,23)/p+1/t16-/m1/s1