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

Systemtic Name: 2-[[4-[4-(4-fluorophenyl)piperazin-1-yl]-3-nitro-phenyl]sulfonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[4-[4-(4-fluorophenyl)piperazin-1-yl]-3-nitro-phenyl]sulfonylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[4-[4-(4-fluorophenyl)-1-piperazinyl]-3-nitrophenyl]sulfonylamino]ethyl-dimethylammonium IUPAC Name: 2-[[4-[4-(4-fluorophenyl)piperazin-1-yl]-3-nitrophenyl]sulfonylamino]ethyl-dimethylazanium Traditional Name: 2-[[4-[4-(4-fluorophenyl)piperazino]-3-nitro-phenyl]sulfonylamino]ethyl-dimethyl-ammonium Formula: C20H27FN5O4S+ MolecularWeight: 452.522883

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C3=CC=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

C[NH+](C)CCNS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C3=CC=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C20H26FN5O4S/c1-23(2)10-9-22-31(29,30)18-7-8-19(20(15-18)26(27)28)25-13-11-24(12-14-25)17-5-3-16(21)4-6-17/h3-8,15,22H,9-14H2,1-2H3/p+1