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

Systemtic Name: 5-[(3,4-dimethylphenoxy)methyl]-4-methyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 5-[(3,4-dimethylphenoxy)methyl]-4-methyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 5-[(3,4-dimethylphenoxy)methyl]-4-methyl-2-[(4-methyl-1-piperidin-1-iumyl)methyl]-1,2,4-triazole-3-thione IUPAC Name: 5-[(3,4-dimethylphenoxy)methyl]-4-methyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 5-[(3,4-dimethylphenoxy)methyl]-4-methyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Formula: C19H29N4OS+ MolecularWeight: 361.52476

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CN2C(=S)N(C(=N2)COC3=CC(=C(C=C3)C)C)C

Isomeric SMILES

CC1CC[NH+](CC1)CN2C(=S)N(C(=N2)COC3=CC(=C(C=C3)C)C)C

InChI

InChI=1S/C19H28N4OS/c1-14-7-9-22(10-8-14)13-23-19(25)21(4)18(20-23)12-24-17-6-5-15(2)16(3)11-17/h5-6,11,14H,7-10,12-13H2,1-4H3/p+1