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

Systemtic Name: 1-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-3-propan-2-yl-benzimidazole-2-thione Openeye Name: 1-isopropyl-3-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]benzimidazole-2-thione CAS Name: 1-[[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-3-propan-2-yl-2-benzimidazolethione IUPAC Name: 1-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-3-propan-2-ylbenzimidazole-2-thione Traditional Name: 1-isopropyl-3-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]benzimidazole-2-thione Formula: C22H29N4OS+ MolecularWeight: 397.55686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=CC=CC=C2N(C1=S)C[NH+]3CCN(CC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC(C)N1C2=CC=CC=C2N(C1=S)C[NH+]3CCN(CC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C22H28N4OS/c1-17(2)26-21-7-5-4-6-20(21)25(22(26)28)16-23-12-14-24(15-13-23)18-8-10-19(27-3)11-9-18/h4-11,17H,12-16H2,1-3H3/p+1