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

Systemtic Name: 3-[1,3-benzothiazol-2-yl-[3-(4-fluorophenyl)sulfanylpropanoyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[1,3-benzothiazol-2-yl-[3-(4-fluorophenyl)sulfanylpropanoyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[1,3-benzothiazol-2-yl-[3-[(4-fluorophenyl)thio]-1-oxopropyl]amino]propyl-dimethylammonium IUPAC Name: 3-[1,3-benzothiazol-2-yl-[3-(4-fluorophenyl)sulfanylpropanoyl]amino]propyl-dimethylazanium Traditional Name: 3-[1,3-benzothiazol-2-yl-[3-[(4-fluorophenyl)thio]propanoyl]amino]propyl-dimethyl-ammonium Formula: C21H25FN3OS2+ MolecularWeight: 418.571103

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN(C1=NC2=CC=CC=C2S1)C(=O)CCSC3=CC=C(C=C3)F

Isomeric SMILES

C[NH+](C)CCCN(C1=NC2=CC=CC=C2S1)C(=O)CCSC3=CC=C(C=C3)F

InChI

InChI=1S/C21H24FN3OS2/c1-24(2)13-5-14-25(21-23-18-6-3-4-7-19(18)28-21)20(26)12-15-27-17-10-8-16(22)9-11-17/h3-4,6-11H,5,12-15H2,1-2H3/p+1