2-[2-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]pyrrol-1-yl]-6-methyl-1,3-benzothiazole

Systemtic Name: 2-[2-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]pyrrol-1-yl]-6-methyl-1,3-benzothiazole Openeye Name: 2-[2-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]pyrrol-1-yl]-6-methyl-1,3-benzothiazole CAS Name: 2-[2-[[4-(2-fluorophenyl)-1-piperazin-1-iumyl]methyl]-1-pyrrolyl]-6-methyl-1,3-benzothiazole IUPAC Name: 2-[2-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]pyrrol-1-yl]-6-methyl-1,3-benzothiazole Traditional Name: 2-[2-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]pyrrol-1-yl]-6-methyl-1,3-benzothiazole Formula: C23H24FN4S+ MolecularWeight: 407.526863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)N3C=CC=C3C[NH+]4CCN(CC4)C5=CC=CC=C5F

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)N3C=CC=C3C[NH+]4CCN(CC4)C5=CC=CC=C5F

InChI

InChI=1S/C23H23FN4S/c1-17-8-9-20-22(15-17)29-23(25-20)28-10-4-5-18(28)16-26-11-13-27(14-12-26)21-7-3-2-6-19(21)24/h2-10,15H,11-14,16H2,1H3/p+1