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

Systemtic Name: 1-cyclopentyl-3-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-4,5-dimethyl-imidazole-2-thione Openeye Name: 1-cyclopentyl-3-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-4,5-dimethyl-imidazole-2-thione CAS Name: 1-cyclopentyl-3-[[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-4,5-dimethyl-2-imidazolethione IUPAC Name: 1-cyclopentyl-3-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-4,5-dimethylimidazole-2-thione Traditional Name: 1-cyclopentyl-3-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-4,5-dimethyl-4-imidazoline-2-thione Formula: C22H33N4OS+ MolecularWeight: 401.58862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=S)N1C[NH+]2CCN(CC2)C3=CC=C(C=C3)OC)C4CCCC4)C

Isomeric SMILES

CC1=C(N(C(=S)N1C[NH+]2CCN(CC2)C3=CC=C(C=C3)OC)C4CCCC4)C

InChI

InChI=1S/C22H32N4OS/c1-17-18(2)26(20-6-4-5-7-20)22(28)25(17)16-23-12-14-24(15-13-23)19-8-10-21(27-3)11-9-19/h8-11,20H,4-7,12-16H2,1-3H3/p+1