1-[3-(4-methylpiperazin-4-ium-1-yl)phenyl]ethanone

Systemtic Name: 1-[3-(4-methylpiperazin-4-ium-1-yl)phenyl]ethanone Openeye Name: 1-[3-(4-methylpiperazin-4-ium-1-yl)phenyl]ethanone CAS Name: 1-[3-(4-methyl-1-piperazin-4-iumyl)phenyl]ethanone IUPAC Name: 1-[3-(4-methylpiperazin-4-ium-1-yl)phenyl]ethanone Traditional Name: 1-[3-(4-methylpiperazin-4-ium-1-yl)phenyl]ethanone Formula: C13H19N2O+ MolecularWeight: 219.30276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)N2CC[NH+](CC2)C

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)N2CC[NH+](CC2)C

InChI

InChI=1S/C13H18N2O/c1-11(16)12-4-3-5-13(10-12)15-8-6-14(2)7-9-15/h3-5,10H,6-9H2,1-2H3/p+1