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

Systemtic Name: 4-methyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-5-(phenylmethyl)-1,2,4-triazole-3-thione Openeye Name: 5-benzyl-4-methyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 4-methyl-2-[(4-methyl-1-piperidin-1-iumyl)methyl]-5-(phenylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 5-benzyl-4-methyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 5-benzyl-4-methyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Formula: C17H25N4S+ MolecularWeight: 317.4722

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CN2C(=S)N(C(=N2)CC3=CC=CC=C3)C

Isomeric SMILES

CC1CC[NH+](CC1)CN2C(=S)N(C(=N2)CC3=CC=CC=C3)C

InChI

InChI=1S/C17H24N4S/c1-14-8-10-20(11-9-14)13-21-17(22)19(2)16(18-21)12-15-6-4-3-5-7-15/h3-7,14H,8-13H2,1-2H3/p+1