1-[2,4,6-trimethyl-3-[[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]methyl]phenyl]ethanone

Systemtic Name: 1-[2,4,6-trimethyl-3-[[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]methyl]phenyl]ethanone Openeye Name: 1-[2,4,6-trimethyl-3-[[4-(2-pyridylmethyl)piperazin-4-ium-1-yl]methyl]phenyl]ethanone CAS Name: 1-[2,4,6-trimethyl-3-[[4-(2-pyridinylmethyl)-1-piperazin-4-iumyl]methyl]phenyl]ethanone IUPAC Name: 1-[2,4,6-trimethyl-3-[[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]methyl]phenyl]ethanone Traditional Name: 1-[2,4,6-trimethyl-3-[[4-(2-pyridylmethyl)piperazin-4-ium-1-yl]methyl]phenyl]ethanone Formula: C22H30N3O+ MolecularWeight: 352.4931

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C(=O)C)C)CN2CC[NH+](CC2)CC3=CC=CC=N3)C

Isomeric SMILES

CC1=CC(=C(C(=C1C(=O)C)C)CN2CC[NH+](CC2)CC3=CC=CC=N3)C

InChI

InChI=1S/C22H29N3O/c1-16-13-17(2)22(19(4)26)18(3)21(16)15-25-11-9-24(10-12-25)14-20-7-5-6-8-23-20/h5-8,13H,9-12,14-15H2,1-4H3/p+1