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

Systemtic Name: 1-(3-methoxyphenyl)-3-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]imidazole-2-thione Openeye Name: 1-(3-methoxyphenyl)-3-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]imidazole-2-thione CAS Name: 1-(3-methoxyphenyl)-3-[[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-2-imidazolethione IUPAC Name: 1-(3-methoxyphenyl)-3-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]imidazole-2-thione Traditional Name: 1-(3-methoxyphenyl)-3-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-imidazoline-2-thione Formula: C22H27N4O2S+ MolecularWeight: 411.54038

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)CN3C=CN(C3=S)C4=CC(=CC=C4)OC

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)CN3C=CN(C3=S)C4=CC(=CC=C4)OC

InChI

InChI=1S/C22H26N4O2S/c1-27-20-8-6-18(7-9-20)24-12-10-23(11-13-24)17-25-14-15-26(22(25)29)19-4-3-5-21(16-19)28-2/h3-9,14-16H,10-13,17H2,1-2H3/p+1