5-(2-chlorophenyl)-4-methyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazol-3-one

Systemtic Name: 5-(2-chlorophenyl)-4-methyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazol-3-one Openeye Name: 5-(2-chlorophenyl)-4-methyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazol-3-one CAS Name: 5-(2-chlorophenyl)-4-methyl-2-[(4-methyl-1-piperidin-1-iumyl)methyl]-1,2,4-triazol-3-one IUPAC Name: 5-(2-chlorophenyl)-4-methyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazol-3-one Traditional Name: 5-(2-chlorophenyl)-4-methyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazol-3-one Formula: C16H22ClN4O+ MolecularWeight: 321.82508

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CN2C(=O)N(C(=N2)C3=CC=CC=C3Cl)C

Isomeric SMILES

CC1CC[NH+](CC1)CN2C(=O)N(C(=N2)C3=CC=CC=C3Cl)C

InChI

InChI=1S/C16H21ClN4O/c1-12-7-9-20(10-8-12)11-21-16(22)19(2)15(18-21)13-5-3-4-6-14(13)17/h3-6,12H,7-11H2,1-2H3/p+1