5-(4-tert-butylphenyl)-4-methyl-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione

Systemtic Name: 5-(4-tert-butylphenyl)-4-methyl-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 5-(4-tert-butylphenyl)-4-methyl-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 5-(4-tert-butylphenyl)-4-methyl-2-(1-piperidin-1-iumylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 5-(4-tert-butylphenyl)-4-methyl-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 5-(4-tert-butylphenyl)-4-methyl-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Formula: C19H29N4S+ MolecularWeight: 345.52536

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN(C(=S)N2C)C[NH+]3CCCCC3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN(C(=S)N2C)C[NH+]3CCCCC3

InChI

InChI=1S/C19H28N4S/c1-19(2,3)16-10-8-15(9-11-16)17-20-23(18(24)21(17)4)14-22-12-6-5-7-13-22/h8-11H,5-7,12-14H2,1-4H3/p+1