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

Systemtic Name: 1-cyclopentyl-3-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-4,5-dimethyl-imidazole-2-thione Openeye Name: 1-cyclopentyl-3-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-4,5-dimethyl-imidazole-2-thione CAS Name: 1-cyclopentyl-3-[[4-(4-fluorophenyl)-1-piperazin-1-iumyl]methyl]-4,5-dimethyl-2-imidazolethione IUPAC Name: 1-cyclopentyl-3-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-4,5-dimethylimidazole-2-thione Traditional Name: 1-cyclopentyl-3-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-4,5-dimethyl-4-imidazoline-2-thione Formula: C21H30FN4S+ MolecularWeight: 389.553103

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29FN4S/c1-16-17(2)26(20-5-3-4-6-20)21(27)25(16)15-23-11-13-24(14-12-23)19-9-7-18(22)8-10-19/h7-10,20H,3-6,11-15H2,1-2H3/p+1