2-[[4-(azepan-1-yl)-3-nitro-phenyl]sulfonylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[4-(azepan-1-yl)-3-nitro-phenyl]sulfonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[4-(azepan-1-yl)-3-nitro-phenyl]sulfonylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[4-(1-azepanyl)-3-nitrophenyl]sulfonylamino]ethyl-dimethylammonium IUPAC Name: 2-[[4-(azepan-1-yl)-3-nitrophenyl]sulfonylamino]ethyl-dimethylazanium Traditional Name: 2-[[4-(azepan-1-yl)-3-nitro-phenyl]sulfonylamino]ethyl-dimethyl-ammonium Formula: C16H27N4O4S+ MolecularWeight: 371.47498

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNS(=O)(=O)C1=CC(=C(C=C1)N2CCCCCC2)[N+](=O)[O-]

Isomeric SMILES

C[NH+](C)CCNS(=O)(=O)C1=CC(=C(C=C1)N2CCCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C16H26N4O4S/c1-18(2)12-9-17-25(23,24)14-7-8-15(16(13-14)20(21)22)19-10-5-3-4-6-11-19/h7-8,13,17H,3-6,9-12H2,1-2H3/p+1