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

Systemtic Name: 2-(2-methylphenyl)-1-(4-propylpiperazin-4-ium-1-yl)ethanone Openeye Name: 2-(o-tolyl)-1-(4-propylpiperazin-4-ium-1-yl)ethanone CAS Name: 2-(2-methylphenyl)-1-(4-propyl-1-piperazin-4-iumyl)ethanone IUPAC Name: 2-(2-methylphenyl)-1-(4-propylpiperazin-4-ium-1-yl)ethanone Traditional Name: 2-(o-tolyl)-1-(4-propylpiperazin-4-ium-1-yl)ethanone Formula: C16H25N2O+ MolecularWeight: 261.3825

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCN(CC1)C(=O)CC2=CC=CC=C2C

Isomeric SMILES

CCC[NH+]1CCN(CC1)C(=O)CC2=CC=CC=C2C

InChI

InChI=1S/C16H24N2O/c1-3-8-17-9-11-18(12-10-17)16(19)13-15-7-5-4-6-14(15)2/h4-7H,3,8-13H2,1-2H3/p+1