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

Systemtic Name: 2-[(4-methylpiperidin-1-ium-1-yl)methyl]-5-phenyl-1H-1,2,4-triazole-3-thione Openeye Name: 2-[(4-methylpiperidin-1-ium-1-yl)methyl]-5-phenyl-1H-1,2,4-triazole-3-thione CAS Name: 2-[(4-methyl-1-piperidin-1-iumyl)methyl]-5-phenyl-1H-1,2,4-triazole-3-thione IUPAC Name: 2-[(4-methylpiperidin-1-ium-1-yl)methyl]-5-phenyl-1H-1,2,4-triazole-3-thione Traditional Name: 2-[(4-methylpiperidin-1-ium-1-yl)methyl]-5-phenyl-1H-1,2,4-triazole-3-thione Formula: C15H21N4S+ MolecularWeight: 289.41904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N4S/c1-12-7-9-18(10-8-12)11-19-15(20)16-14(17-19)13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3,(H,16,17,20)/p+1