1-[[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]methyl]-3-(2-methoxyethyl)-4,5-dimethyl-imidazole-2-thione

Systemtic Name: 1-[[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]methyl]-3-(2-methoxyethyl)-4,5-dimethyl-imidazole-2-thione Openeye Name: 1-[[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]methyl]-3-(2-methoxyethyl)-4,5-dimethyl-imidazole-2-thione CAS Name: 1-[[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-piperazin-4-iumyl]methyl]-3-(2-methoxyethyl)-4,5-dimethyl-2-imidazolethione IUPAC Name: 1-[[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]methyl]-3-(2-methoxyethyl)-4,5-dimethylimidazole-2-thione Traditional Name: 1-[[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]methyl]-3-(2-methoxyethyl)-4,5-dimethyl-4-imidazoline-2-thione Formula: C22H30ClN6O2S+ MolecularWeight: 478.0306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=S)N1CCOC)CN2CC[NH+](CC2)CC3=NC(=NO3)C4=CC=C(C=C4)Cl)C

Isomeric SMILES

CC1=C(N(C(=S)N1CCOC)CN2CC[NH+](CC2)CC3=NC(=NO3)C4=CC=C(C=C4)Cl)C

InChI

InChI=1S/C22H29ClN6O2S/c1-16-17(2)29(22(32)28(16)12-13-30-3)15-27-10-8-26(9-11-27)14-20-24-21(25-31-20)18-4-6-19(23)7-5-18/h4-7H,8-15H2,1-3H3/p+1