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

Systemtic Name: 5-(4-methoxyphenyl)-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-1H-1,2,4-triazole-3-thione Openeye Name: 5-(4-methoxyphenyl)-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-1H-1,2,4-triazole-3-thione CAS Name: 5-(4-methoxyphenyl)-2-[(4-methyl-1-piperidin-1-iumyl)methyl]-1H-1,2,4-triazole-3-thione IUPAC Name: 5-(4-methoxyphenyl)-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-1H-1,2,4-triazole-3-thione Traditional Name: 5-(4-methoxyphenyl)-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-1H-1,2,4-triazole-3-thione Formula: C16H23N4OS+ MolecularWeight: 319.44502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4OS/c1-12-7-9-19(10-8-12)11-20-16(22)17-15(18-20)13-3-5-14(21-2)6-4-13/h3-6,12H,7-11H2,1-2H3,(H,17,18,22)/p+1