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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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