5-(2-chlorophenyl)-4-cyclopentyl-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione

Systemtic Name: 5-(2-chlorophenyl)-4-cyclopentyl-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 5-(2-chlorophenyl)-4-cyclopentyl-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 5-(2-chlorophenyl)-4-cyclopentyl-2-(1-piperidin-1-iumylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 5-(2-chlorophenyl)-4-cyclopentyl-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 5-(2-chlorophenyl)-4-cyclopentyl-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Formula: C19H26ClN4S+ MolecularWeight: 377.95454

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CN2C(=S)N(C(=N2)C3=CC=CC=C3Cl)C4CCCC4

Isomeric SMILES

C1CC[NH+](CC1)CN2C(=S)N(C(=N2)C3=CC=CC=C3Cl)C4CCCC4

InChI

InChI=1S/C19H25ClN4S/c20-17-11-5-4-10-16(17)18-21-23(14-22-12-6-1-7-13-22)19(25)24(18)15-8-2-3-9-15/h4-5,10-11,15H,1-3,6-9,12-14H2/p+1