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

Systemtic Name: 1-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-3-methyl-benzimidazole-2-thione Openeye Name: 1-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-3-methyl-benzimidazole-2-thione CAS Name: 1-[[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]methyl]-3-methyl-2-benzimidazolethione IUPAC Name: 1-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-3-methylbenzimidazole-2-thione Traditional Name: 1-methyl-3-[(4-o-phenetylpiperazin-1-ium-1-yl)methyl]benzimidazole-2-thione Formula: C21H27N4OS+ MolecularWeight: 383.53028

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)CN3C4=CC=CC=C4N(C3=S)C

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CN3C4=CC=CC=C4N(C3=S)C

InChI

InChI=1S/C21H26N4OS/c1-3-26-20-11-7-6-10-19(20)24-14-12-23(13-15-24)16-25-18-9-5-4-8-17(18)22(2)21(25)27/h4-11H,3,12-16H2,1-2H3/p+1