1-[4-methyl-4-(phenylmethyl)piperazin-4-ium-1-yl]octan-1-one

Systemtic Name: 1-[4-methyl-4-(phenylmethyl)piperazin-4-ium-1-yl]octan-1-one Openeye Name: 1-(4-benzyl-4-methyl-piperazin-4-ium-1-yl)octan-1-one CAS Name: 1-[4-methyl-4-(phenylmethyl)-1-piperazin-4-iumyl]-1-octanone IUPAC Name: 1-(4-benzyl-4-methylpiperazin-4-ium-1-yl)octan-1-one Traditional Name: 1-(4-benzyl-4-methyl-piperazin-4-ium-1-yl)octan-1-one Formula: C20H33N2O+ MolecularWeight: 317.48882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N1CC[N+](CC1)(C)CC2=CC=CC=C2

Isomeric SMILES

CCCCCCCC(=O)N1CC[N+](CC1)(C)CC2=CC=CC=C2

InChI

InChI=1S/C20H33N2O/c1-3-4-5-6-10-13-20(23)21-14-16-22(2,17-15-21)18-19-11-8-7-9-12-19/h7-9,11-12H,3-6,10,13-18H2,1-2H3/q+1