[4-[[[4-(cyclopropylamino)-3-nitro-phenyl]carbonylamino]methyl]phenyl]methyl-dimethyl-azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=CC=C(C=C1)CNC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-]

Isomeric SMILES

C[NH+](C)CC1=CC=C(C=C1)CNC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-]

InChI

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