2-ethoxy-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-ethoxy-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-ethoxy-ethanone CAS Name: 2-ethoxy-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-ethoxyethanone Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-ethoxy-ethanone Formula: C15H23N2O2+ MolecularWeight: 263.35532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCC(=O)N1CC[NH+](CC1)CC2=CC=CC=C2

Isomeric SMILES

CCOCC(=O)N1CC[NH+](CC1)CC2=CC=CC=C2

InChI

InChI=1S/C15H22N2O2/c1-2-19-13-15(18)17-10-8-16(9-11-17)12-14-6-4-3-5-7-14/h3-7H,2,8-13H2,1H3/p+1