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

Systemtic Name: [4-[[[4-(azepan-1-yl)-3-nitro-phenyl]carbonylamino]methyl]phenyl]methyl-dimethyl-azanium Openeye Name: [4-[[[4-(azepan-1-yl)-3-nitro-benzoyl]amino]methyl]phenyl]methyl-dimethyl-ammonium CAS Name: [4-[[[[4-(1-azepanyl)-3-nitrophenyl]-oxomethyl]amino]methyl]phenyl]methyl-dimethylammonium IUPAC Name: [4-[[[4-(azepan-1-yl)-3-nitrobenzoyl]amino]methyl]phenyl]methyl-dimethylazanium Traditional Name: [4-[[[4-(azepan-1-yl)-3-nitro-benzoyl]amino]methyl]benzyl]-dimethyl-ammonium Formula: C23H31N4O3+ MolecularWeight: 411.51724

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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)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

C[NH+](C)CC1=CC=C(C=C1)CNC(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C23H30N4O3/c1-25(2)17-19-9-7-18(8-10-19)16-24-23(28)20-11-12-21(22(15-20)27(29)30)26-13-5-3-4-6-14-26/h7-12,15H,3-6,13-14,16-17H2,1-2H3,(H,24,28)/p+1