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

Systemtic Name: 3-[1,3-benzothiazol-2-yl-[2-(4-fluorophenyl)ethanoyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[1,3-benzothiazol-2-yl-[2-(4-fluorophenyl)acetyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[1,3-benzothiazol-2-yl-[2-(4-fluorophenyl)-1-oxoethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[1,3-benzothiazol-2-yl-[2-(4-fluorophenyl)acetyl]amino]propyl-dimethylazanium Traditional Name: 3-[1,3-benzothiazol-2-yl-[2-(4-fluorophenyl)acetyl]amino]propyl-dimethyl-ammonium Formula: C20H23FN3OS+ MolecularWeight: 372.479523

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN(C1=NC2=CC=CC=C2S1)C(=O)CC3=CC=C(C=C3)F

Isomeric SMILES

C[NH+](C)CCCN(C1=NC2=CC=CC=C2S1)C(=O)CC3=CC=C(C=C3)F

InChI

InChI=1S/C20H22FN3OS/c1-23(2)12-5-13-24(19(25)14-15-8-10-16(21)11-9-15)20-22-17-6-3-4-7-18(17)26-20/h3-4,6-11H,5,12-14H2,1-2H3/p+1