2-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-oxidanidyl-3-phenyl-3H-1,2-benzothiazol-2-ium 1-oxide

Systemtic Name: 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-oxidanidyl-3-phenyl-3H-1,2-benzothiazol-2-ium 1-oxide Openeye Name: 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-oxido-3-phenyl-3H-1,2-benzothiazol-2-ium 1-oxide CAS Name: 2-[3-[4-(4-fluorophenyl)-1-piperazinyl]propyl]-2-oxido-3-phenyl-3H-1,2-benzothiazol-2-ium 1-oxide IUPAC Name: 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-oxido-3-phenyl-3H-1,2-benzothiazol-2-ium 1-oxide Traditional Name: 2-[3-[4-(4-fluorophenyl)piperazino]propyl]-2-oxido-3-phenyl-3H-1,2-benzothiazol-2-ium 1-oxide Formula: C26H28FN3O2S MolecularWeight: 465.582823

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC[N+]2(C(C3=CC=CC=C3S2=O)C4=CC=CC=C4)[O-])C5=CC=C(C=C5)F

Isomeric SMILES

C1CN(CCN1CCC[N+]2(C(C3=CC=CC=C3S2=O)C4=CC=CC=C4)[O-])C5=CC=C(C=C5)F

InChI

InChI=1S/C26H28FN3O2S/c27-22-11-13-23(14-12-22)29-18-16-28(17-19-29)15-6-20-30(31)26(21-7-2-1-3-8-21)24-9-4-5-10-25(24)33(30)32/h1-5,7-14,26H,6,15-20H2