(2-methylphenyl)-(1-methylpiperazin-1-ium-1-yl)methanone

Systemtic Name: (2-methylphenyl)-(1-methylpiperazin-1-ium-1-yl)methanone Openeye Name: (1-methylpiperazin-1-ium-1-yl)-(o-tolyl)methanone CAS Name: (2-methylphenyl)-(1-methyl-1-piperazin-1-iumyl)methanone IUPAC Name: (2-methylphenyl)-(1-methylpiperazin-1-ium-1-yl)methanone Traditional Name: (1-methylpiperazin-1-ium-1-yl)-(o-tolyl)methanone Formula: C13H19N2O+ MolecularWeight: 219.30276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)[N+]2(CCNCC2)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)[N+]2(CCNCC2)C

InChI

InChI=1S/C13H19N2O/c1-11-5-3-4-6-12(11)13(16)15(2)9-7-14-8-10-15/h3-6,14H,7-10H2,1-2H3/q+1