1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-(4-fluorophenyl)sulfanyl-propan-1-one

Systemtic Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-(4-fluorophenyl)sulfanyl-propan-1-one Openeye Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-(4-fluorophenyl)sulfanyl-propan-1-one CAS Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-3-[(4-fluorophenyl)thio]-1-propanone IUPAC Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-(4-fluorophenyl)sulfanylpropan-1-one Traditional Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-[(4-fluorophenyl)thio]propan-1-one Formula: C21H23FN3OS2+ MolecularWeight: 416.555223

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)CCSC4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)CCSC4=CC=C(C=C4)F

InChI

InChI=1S/C21H22FN3OS2/c22-16-5-7-17(8-6-16)27-14-9-21(26)25-12-10-24(11-13-25)15-20-23-18-3-1-2-4-19(18)28-20/h1-8H,9-15H2/p+1