4-cyclohexyl-5-phenyl-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione

Systemtic Name: 4-cyclohexyl-5-phenyl-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 4-cyclohexyl-5-phenyl-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 4-cyclohexyl-5-phenyl-2-(1-piperidin-1-iumylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 4-cyclohexyl-5-phenyl-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 4-cyclohexyl-5-phenyl-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Formula: C20H29N4S+ MolecularWeight: 357.53606

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN(C2=S)C[NH+]3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)N2C(=NN(C2=S)C[NH+]3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C20H28N4S/c25-20-23(16-22-14-8-3-9-15-22)21-19(17-10-4-1-5-11-17)24(20)18-12-6-2-7-13-18/h1,4-5,10-11,18H,2-3,6-9,12-16H2/p+1