5-(2-chlorophenyl)-4-cyclopentyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione

Systemtic Name: 5-(2-chlorophenyl)-4-cyclopentyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 5-(2-chlorophenyl)-4-cyclopentyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 5-(2-chlorophenyl)-4-cyclopentyl-2-[(4-methyl-1-piperidin-1-iumyl)methyl]-1,2,4-triazole-3-thione IUPAC Name: 5-(2-chlorophenyl)-4-cyclopentyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 5-(2-chlorophenyl)-4-cyclopentyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Formula: C20H28ClN4S+ MolecularWeight: 391.98112

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CN2C(=S)N(C(=N2)C3=CC=CC=C3Cl)C4CCCC4

Isomeric SMILES

CC1CC[NH+](CC1)CN2C(=S)N(C(=N2)C3=CC=CC=C3Cl)C4CCCC4

InChI

InChI=1S/C20H27ClN4S/c1-15-10-12-23(13-11-15)14-24-20(26)25(16-6-2-3-7-16)19(22-24)17-8-4-5-9-18(17)21/h4-5,8-9,15-16H,2-3,6-7,10-14H2,1H3/p+1