[2-[[[4-(4-ethanoylpiperazin-1-yl)-3-nitro-phenyl]carbonylamino]methyl]phenyl]methyl-dimethyl-azanium

Systemtic Name: [2-[[[4-(4-ethanoylpiperazin-1-yl)-3-nitro-phenyl]carbonylamino]methyl]phenyl]methyl-dimethyl-azanium Openeye Name: [2-[[[4-(4-acetylpiperazin-1-yl)-3-nitro-benzoyl]amino]methyl]phenyl]methyl-dimethyl-ammonium CAS Name: [2-[[[[4-(4-acetyl-1-piperazinyl)-3-nitrophenyl]-oxomethyl]amino]methyl]phenyl]methyl-dimethylammonium IUPAC Name: [2-[[[4-(4-acetylpiperazin-1-yl)-3-nitrobenzoyl]amino]methyl]phenyl]methyl-dimethylazanium Traditional Name: [2-[[[4-(4-acetylpiperazino)-3-nitro-benzoyl]amino]methyl]benzyl]-dimethyl-ammonium Formula: C23H30N5O4+ MolecularWeight: 440.5154

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)NCC3=CC=CC=C3C[NH+](C)C)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)NCC3=CC=CC=C3C[NH+](C)C)[N+](=O)[O-]

InChI

InChI=1S/C23H29N5O4/c1-17(29)26-10-12-27(13-11-26)21-9-8-18(14-22(21)28(31)32)23(30)24-15-19-6-4-5-7-20(19)16-25(2)3/h4-9,14H,10-13,15-16H2,1-3H3,(H,24,30)/p+1