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

Systemtic Name: 2-chloranyl-1-[1-(phenylmethyl)piperazin-1-ium-1-yl]ethanone Openeye Name: 1-(1-benzylpiperazin-1-ium-1-yl)-2-chloro-ethanone CAS Name: 2-chloro-1-[1-(phenylmethyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(1-benzylpiperazin-1-ium-1-yl)-2-chloroethanone Traditional Name: 1-(1-benzylpiperazin-1-ium-1-yl)-2-chloro-ethanone Formula: C13H18ClN2O+ MolecularWeight: 253.74782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CCN1)(CC2=CC=CC=C2)C(=O)CCl

Isomeric SMILES

C1C[N+](CCN1)(CC2=CC=CC=C2)C(=O)CCl

InChI

InChI=1S/C13H18ClN2O/c14-10-13(17)16(8-6-15-7-9-16)11-12-4-2-1-3-5-12/h1-5,15H,6-11H2/q+1