1-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-3-(4-methoxyphenyl)imidazole-2-thione

Systemtic Name: 1-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-3-(4-methoxyphenyl)imidazole-2-thione Openeye Name: 1-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-3-(4-methoxyphenyl)imidazole-2-thione CAS Name: 1-[[4-(4-fluorophenyl)-1-piperazin-1-iumyl]methyl]-3-(4-methoxyphenyl)-2-imidazolethione IUPAC Name: 1-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-3-(4-methoxyphenyl)imidazole-2-thione Traditional Name: 1-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-3-(4-methoxyphenyl)-4-imidazoline-2-thione Formula: C21H24FN4OS+ MolecularWeight: 399.504863

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C=CN(C2=S)C[NH+]3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

COC1=CC=C(C=C1)N2C=CN(C2=S)C[NH+]3CCN(CC3)C4=CC=C(C=C4)F

InChI

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