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

Systemtic Name: 1-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-3-methyl-imidazole-2-thione Openeye Name: 1-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-3-methyl-imidazole-2-thione CAS Name: 1-[[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-3-methyl-2-imidazolethione IUPAC Name: 1-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-3-methylimidazole-2-thione Traditional Name: 1-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-3-methyl-4-imidazoline-2-thione Formula: C16H23N4OS+ MolecularWeight: 319.44502

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN(C1=S)C[NH+]2CCN(CC2)C3=CC=C(C=C3)OC

Isomeric SMILES

CN1C=CN(C1=S)C[NH+]2CCN(CC2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C16H22N4OS/c1-17-7-10-20(16(17)22)13-18-8-11-19(12-9-18)14-3-5-15(21-2)6-4-14/h3-7,10H,8-9,11-13H2,1-2H3/p+1