1-cyclopentyl-3-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-4,5-dimethyl-imidazole-2-thione

Systemtic Name: 1-cyclopentyl-3-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-4,5-dimethyl-imidazole-2-thione Openeye Name: 1-cyclopentyl-3-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-4,5-dimethyl-imidazole-2-thione CAS Name: 1-cyclopentyl-3-[[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]methyl]-4,5-dimethyl-2-imidazolethione IUPAC Name: 1-cyclopentyl-3-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-4,5-dimethylimidazole-2-thione Traditional Name: 1-cyclopentyl-4,5-dimethyl-3-[(4-o-phenetylpiperazin-1-ium-1-yl)methyl]-4-imidazoline-2-thione Formula: C23H35N4OS+ MolecularWeight: 415.6152

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)CN3C(=C(N(C3=S)C4CCCC4)C)C

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CN3C(=C(N(C3=S)C4CCCC4)C)C

InChI

InChI=1S/C23H34N4OS/c1-4-28-22-12-8-7-11-21(22)25-15-13-24(14-16-25)17-26-18(2)19(3)27(23(26)29)20-9-5-6-10-20/h7-8,11-12,20H,4-6,9-10,13-17H2,1-3H3/p+1