1-[4-[4-(1-methylpyridin-1-ium-2-yl)piperazin-1-yl]phenyl]ethanone

Systemtic Name: 1-[4-[4-(1-methylpyridin-1-ium-2-yl)piperazin-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-(1-methylpyridin-1-ium-2-yl)piperazin-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-(1-methyl-2-pyridin-1-iumyl)-1-piperazinyl]phenyl]ethanone IUPAC Name: 1-[4-[4-(1-methylpyridin-1-ium-2-yl)piperazin-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-(1-methylpyridin-1-ium-2-yl)piperazino]phenyl]ethanone Formula: C18H22N3O+ MolecularWeight: 296.38678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C3=CC=CC=[N+]3C

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C3=CC=CC=[N+]3C

InChI

InChI=1S/C18H22N3O/c1-15(22)16-6-8-17(9-7-16)20-11-13-21(14-12-20)18-5-3-4-10-19(18)2/h3-10H,11-14H2,1-2H3/q+1