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

Systemtic Name: 5-[(2-methylphenoxy)methyl]-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-phenyl-1,2,4-triazole-3-thione Openeye Name: 5-[(2-methylphenoxy)methyl]-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-phenyl-1,2,4-triazole-3-thione CAS Name: 5-[(2-methylphenoxy)methyl]-2-[(4-methyl-1-piperidin-1-iumyl)methyl]-4-phenyl-1,2,4-triazole-3-thione IUPAC Name: 5-[(2-methylphenoxy)methyl]-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-phenyl-1,2,4-triazole-3-thione Traditional Name: 5-[(2-methylphenoxy)methyl]-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-phenyl-1,2,4-triazole-3-thione Formula: C23H29N4OS+ MolecularWeight: 409.56756

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CN2C(=S)N(C(=N2)COC3=CC=CC=C3C)C4=CC=CC=C4

Isomeric SMILES

CC1CC[NH+](CC1)CN2C(=S)N(C(=N2)COC3=CC=CC=C3C)C4=CC=CC=C4

InChI

InChI=1S/C23H28N4OS/c1-18-12-14-25(15-13-18)17-26-23(29)27(20-9-4-3-5-10-20)22(24-26)16-28-21-11-7-6-8-19(21)2/h3-11,18H,12-17H2,1-2H3/p+1