3-[[4-(cycloheptylamino)-3-nitro-phenyl]sulfonylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[4-(cycloheptylamino)-3-nitro-phenyl]sulfonylamino]propyl-dimethyl-azanium Openeye Name: 3-[[4-(cycloheptylamino)-3-nitro-phenyl]sulfonylamino]propyl-dimethyl-ammonium CAS Name: 3-[[4-(cycloheptylamino)-3-nitrophenyl]sulfonylamino]propyl-dimethylammonium IUPAC Name: 3-[[4-(cycloheptylamino)-3-nitrophenyl]sulfonylamino]propyl-dimethylazanium Traditional Name: 3-[[4-(cycloheptylamino)-3-nitro-phenyl]sulfonylamino]propyl-dimethyl-ammonium Formula: C18H31N4O4S+ MolecularWeight: 399.52814

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNS(=O)(=O)C1=CC(=C(C=C1)NC2CCCCCC2)[N+](=O)[O-]

Isomeric SMILES

C[NH+](C)CCCNS(=O)(=O)C1=CC(=C(C=C1)NC2CCCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C18H30N4O4S/c1-21(2)13-7-12-19-27(25,26)16-10-11-17(18(14-16)22(23)24)20-15-8-5-3-4-6-9-15/h10-11,14-15,19-20H,3-9,12-13H2,1-2H3/p+1