[2,2-dimethyl-3-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)amino]propyl]-dimethyl-azanium

Systemtic Name: [2,2-dimethyl-3-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)amino]propyl]-dimethyl-azanium Openeye Name: [2,2-dimethyl-3-(2-nitro-4-pyrrolidin-1-ylsulfonyl-anilino)propyl]-dimethyl-ammonium CAS Name: [2,2-dimethyl-3-[2-nitro-4-(1-pyrrolidinylsulfonyl)anilino]propyl]-dimethylammonium IUPAC Name: [2,2-dimethyl-3-(2-nitro-4-pyrrolidin-1-ylsulfonylanilino)propyl]-dimethylazanium Traditional Name: [2,2-dimethyl-3-(2-nitro-4-pyrrolidinosulfonyl-anilino)propyl]-dimethyl-ammonium Formula: C17H29N4O4S+ MolecularWeight: 385.50156

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)[N+](=O)[O-])C[NH+](C)C

Isomeric SMILES

CC(C)(CNC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)[N+](=O)[O-])C[NH+](C)C

InChI

InChI=1S/C17H28N4O4S/c1-17(2,13-19(3)4)12-18-15-8-7-14(11-16(15)21(22)23)26(24,25)20-9-5-6-10-20/h7-8,11,18H,5-6,9-10,12-13H2,1-4H3/p+1