3-[[4-[(2-fluorophenyl)methylamino]-3-nitro-phenyl]sulfonylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[4-[(2-fluorophenyl)methylamino]-3-nitro-phenyl]sulfonylamino]propyl-dimethyl-azanium Openeye Name: 3-[[4-[(2-fluorophenyl)methylamino]-3-nitro-phenyl]sulfonylamino]propyl-dimethyl-ammonium CAS Name: 3-[[4-[(2-fluorophenyl)methylamino]-3-nitrophenyl]sulfonylamino]propyl-dimethylammonium IUPAC Name: 3-[[4-[(2-fluorophenyl)methylamino]-3-nitrophenyl]sulfonylamino]propyl-dimethylazanium Traditional Name: 3-[[4-[(2-fluorobenzyl)amino]-3-nitro-phenyl]sulfonylamino]propyl-dimethyl-ammonium Formula: C18H24FN4O4S+ MolecularWeight: 411.470963

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNS(=O)(=O)C1=CC(=C(C=C1)NCC2=CC=CC=C2F)[N+](=O)[O-]

Isomeric SMILES

C[NH+](C)CCCNS(=O)(=O)C1=CC(=C(C=C1)NCC2=CC=CC=C2F)[N+](=O)[O-]

InChI

InChI=1S/C18H23FN4O4S/c1-22(2)11-5-10-21-28(26,27)15-8-9-17(18(12-15)23(24)25)20-13-14-6-3-4-7-16(14)19/h3-4,6-9,12,20-21H,5,10-11,13H2,1-2H3/p+1