3-[2-(4-fluorophenyl)ethanoyl-(6-nitro-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[2-(4-fluorophenyl)ethanoyl-(6-nitro-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[[2-(4-fluorophenyl)acetyl]-(6-nitro-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[2-(4-fluorophenyl)-1-oxoethyl]-(6-nitro-1,3-benzothiazol-2-yl)amino]propyl-dimethylammonium IUPAC Name: 3-[[2-(4-fluorophenyl)acetyl]-(6-nitro-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium Traditional Name: 3-[[2-(4-fluorophenyl)acetyl]-(6-nitro-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium Formula: C20H22FN4O3S+ MolecularWeight: 417.477083

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN(C1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-])C(=O)CC3=CC=C(C=C3)F

Isomeric SMILES

C[NH+](C)CCCN(C1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-])C(=O)CC3=CC=C(C=C3)F

InChI

InChI=1S/C20H21FN4O3S/c1-23(2)10-3-11-24(19(26)12-14-4-6-15(21)7-5-14)20-22-17-9-8-16(25(27)28)13-18(17)29-20/h4-9,13H,3,10-12H2,1-2H3/p+1