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

Systemtic Name: 1-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-3-(2-methylphenyl)imidazole-2-thione Openeye Name: 1-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-3-(o-tolyl)imidazole-2-thione CAS Name: 1-[[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-3-(2-methylphenyl)-2-imidazolethione IUPAC Name: 1-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-3-(2-methylphenyl)imidazole-2-thione Traditional Name: 1-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-3-(o-tolyl)-4-imidazoline-2-thione Formula: C22H27N4OS+ MolecularWeight: 395.54098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C=CN(C2=S)C[NH+]3CCN(CC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC=CC=C1N2C=CN(C2=S)C[NH+]3CCN(CC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C22H26N4OS/c1-18-5-3-4-6-21(18)26-16-15-25(22(26)28)17-23-11-13-24(14-12-23)19-7-9-20(27-2)10-8-19/h3-10,15-16H,11-14,17H2,1-2H3/p+1