1,3-benzothiazol-2-ylmethyl-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[2-[4-(2-fluorophenyl)-1-piperazinyl]-2-oxoethyl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[2-[4-(2-fluorophenyl)piperazino]-2-keto-ethyl]-methyl-ammonium Formula: C21H24FN4OS+ MolecularWeight: 399.504863

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)N3CCN(CC3)C4=CC=CC=C4F

Isomeric SMILES

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)N3CCN(CC3)C4=CC=CC=C4F

InChI

InChI=1S/C21H23FN4OS/c1-24(14-20-23-17-7-3-5-9-19(17)28-20)15-21(27)26-12-10-25(11-13-26)18-8-4-2-6-16(18)22/h2-9H,10-15H2,1H3/p+1