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

Systemtic Name: [(2S)-2-[[4-(cyclopropylamino)-3-nitro-phenyl]carbonylamino]-2-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(2S)-2-[[4-(cyclopropylamino)-3-nitro-benzoyl]amino]-2-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(2S)-2-[[[4-(cyclopropylamino)-3-nitrophenyl]-oxomethyl]amino]-2-phenylethyl]-dimethylammonium IUPAC Name: [(2S)-2-[[4-(cyclopropylamino)-3-nitrobenzoyl]amino]-2-phenylethyl]-dimethylazanium Traditional Name: [(2S)-2-[[4-(cyclopropylamino)-3-nitro-benzoyl]amino]-2-phenyl-ethyl]-dimethyl-ammonium Formula: C20H25N4O3+ MolecularWeight: 369.4375

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC(C1=CC=CC=C1)NC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-]

Isomeric SMILES

C[NH+](C)C[C@H](C1=CC=CC=C1)NC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O3/c1-23(2)13-18(14-6-4-3-5-7-14)22-20(25)15-8-11-17(21-16-9-10-16)19(12-15)24(26)27/h3-8,11-12,16,18,21H,9-10,13H2,1-2H3,(H,22,25)/p+1/t18-/m1/s1