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

Systemtic Name: 5-(4-methoxyphenyl)-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-phenyl-1,2,4-triazole-3-thione Openeye Name: 5-(4-methoxyphenyl)-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-phenyl-1,2,4-triazole-3-thione CAS Name: 5-(4-methoxyphenyl)-2-[(4-methyl-1-piperidin-1-iumyl)methyl]-4-phenyl-1,2,4-triazole-3-thione IUPAC Name: 5-(4-methoxyphenyl)-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-phenyl-1,2,4-triazole-3-thione Traditional Name: 5-(4-methoxyphenyl)-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-phenyl-1,2,4-triazole-3-thione Formula: C22H27N4OS+ MolecularWeight: 395.54098

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CN2C(=S)N(C(=N2)C3=CC=C(C=C3)OC)C4=CC=CC=C4

Isomeric SMILES

CC1CC[NH+](CC1)CN2C(=S)N(C(=N2)C3=CC=C(C=C3)OC)C4=CC=CC=C4

InChI

InChI=1S/C22H26N4OS/c1-17-12-14-24(15-13-17)16-25-22(28)26(19-6-4-3-5-7-19)21(23-25)18-8-10-20(27-2)11-9-18/h3-11,17H,12-16H2,1-2H3/p+1