dimethyl-[1-[[(2-nitro-4-sulfamoyl-phenyl)amino]methyl]cycloheptyl]azanium

Systemtic Name: dimethyl-[1-[[(2-nitro-4-sulfamoyl-phenyl)amino]methyl]cycloheptyl]azanium Openeye Name: dimethyl-[1-[(2-nitro-4-sulfamoyl-anilino)methyl]cycloheptyl]ammonium CAS Name: dimethyl-[1-[(2-nitro-4-sulfamoylanilino)methyl]cycloheptyl]ammonium IUPAC Name: dimethyl-[1-[(2-nitro-4-sulfamoylanilino)methyl]cycloheptyl]azanium Traditional Name: dimethyl-[1-[(2-nitro-4-sulfamoyl-anilino)methyl]cycloheptyl]ammonium Formula: C16H27N4O4S+ MolecularWeight: 371.47498

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C1(CCCCCC1)CNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

C[NH+](C)C1(CCCCCC1)CNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

InChI

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