1-(4-phenethylpiperazin-4-ium-1-yl)pentan-1-one

Systemtic Name: 1-(4-phenethylpiperazin-4-ium-1-yl)pentan-1-one Openeye Name: 1-(4-phenethylpiperazin-4-ium-1-yl)pentan-1-one CAS Name: 1-(4-phenethyl-1-piperazin-4-iumyl)-1-pentanone IUPAC Name: 1-(4-phenethylpiperazin-4-ium-1-yl)pentan-1-one Traditional Name: 1-(4-phenethylpiperazin-4-ium-1-yl)pentan-1-one Formula: C17H27N2O+ MolecularWeight: 275.40908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N1CC[NH+](CC1)CCC2=CC=CC=C2

Isomeric SMILES

CCCCC(=O)N1CC[NH+](CC1)CCC2=CC=CC=C2

InChI

InChI=1S/C17H26N2O/c1-2-3-9-17(20)19-14-12-18(13-15-19)11-10-16-7-5-4-6-8-16/h4-8H,2-3,9-15H2,1H3/p+1