2-(2-methylphenyl)-1-(4-methylpiperazin-4-ium-1-yl)ethanone

Systemtic Name: 2-(2-methylphenyl)-1-(4-methylpiperazin-4-ium-1-yl)ethanone Openeye Name: 1-(4-methylpiperazin-4-ium-1-yl)-2-(o-tolyl)ethanone CAS Name: 2-(2-methylphenyl)-1-(4-methyl-1-piperazin-4-iumyl)ethanone IUPAC Name: 2-(2-methylphenyl)-1-(4-methylpiperazin-4-ium-1-yl)ethanone Traditional Name: 1-(4-methylpiperazin-4-ium-1-yl)-2-(o-tolyl)ethanone Formula: C14H21N2O+ MolecularWeight: 233.32934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC(=O)N2CC[NH+](CC2)C

Isomeric SMILES

CC1=CC=CC=C1CC(=O)N2CC[NH+](CC2)C

InChI

InChI=1S/C14H20N2O/c1-12-5-3-4-6-13(12)11-14(17)16-9-7-15(2)8-10-16/h3-6H,7-11H2,1-2H3/p+1