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

Systemtic Name: 5-[(4-chloranylphenoxy)methyl]-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-phenyl-1,2,4-triazole-3-thione Openeye Name: 5-[(4-chlorophenoxy)methyl]-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-phenyl-1,2,4-triazole-3-thione CAS Name: 5-[(4-chlorophenoxy)methyl]-2-[(4-methyl-1-piperidin-1-iumyl)methyl]-4-phenyl-1,2,4-triazole-3-thione IUPAC Name: 5-[(4-chlorophenoxy)methyl]-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-phenyl-1,2,4-triazole-3-thione Traditional Name: 5-[(4-chlorophenoxy)methyl]-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-phenyl-1,2,4-triazole-3-thione Formula: C22H26ClN4OS+ MolecularWeight: 429.98604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CN2C(=S)N(C(=N2)COC3=CC=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1CC[NH+](CC1)CN2C(=S)N(C(=N2)COC3=CC=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C22H25ClN4OS/c1-17-11-13-25(14-12-17)16-26-22(29)27(19-5-3-2-4-6-19)21(24-26)15-28-20-9-7-18(23)8-10-20/h2-10,17H,11-16H2,1H3/p+1