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

Systemtic Name: 5-(3-bromophenyl)-4-methyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 5-(3-bromophenyl)-4-methyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 5-(3-bromophenyl)-4-methyl-2-[(4-methyl-1-piperidin-1-iumyl)methyl]-1,2,4-triazole-3-thione IUPAC Name: 5-(3-bromophenyl)-4-methyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 5-(3-bromophenyl)-4-methyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Formula: C16H22BrN4S+ MolecularWeight: 382.34168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21BrN4S/c1-12-6-8-20(9-7-12)11-21-16(22)19(2)15(18-21)13-4-3-5-14(17)10-13/h3-5,10,12H,6-9,11H2,1-2H3/p+1