3-[[4-(azepan-1-yl)-3-nitro-phenyl]carbonylamino]propyl-cyclohexyl-azanium

Systemtic Name: 3-[[4-(azepan-1-yl)-3-nitro-phenyl]carbonylamino]propyl-cyclohexyl-azanium Openeye Name: 3-[[4-(azepan-1-yl)-3-nitro-benzoyl]amino]propyl-cyclohexyl-ammonium CAS Name: 3-[[[4-(1-azepanyl)-3-nitrophenyl]-oxomethyl]amino]propyl-cyclohexylammonium IUPAC Name: 3-[[4-(azepan-1-yl)-3-nitrobenzoyl]amino]propyl-cyclohexylazanium Traditional Name: 3-[[4-(azepan-1-yl)-3-nitro-benzoyl]amino]propyl-cyclohexyl-ammonium Formula: C22H35N4O3+ MolecularWeight: 403.5383

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NCCC[NH2+]C3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NCCC[NH2+]C3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C22H34N4O3/c27-22(24-14-8-13-23-19-9-4-3-5-10-19)18-11-12-20(21(17-18)26(28)29)25-15-6-1-2-7-16-25/h11-12,17,19,23H,1-10,13-16H2,(H,24,27)/p+1