2,2-bis(chloranyl)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2,2-bis(chloranyl)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2,2-dichloro-ethanone CAS Name: 2,2-dichloro-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2,2-dichloroethanone Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2,2-dichloro-ethanone Formula: C13H17Cl2N2O+ MolecularWeight: 288.19288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C(Cl)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C(Cl)Cl

InChI

InChI=1S/C13H16Cl2N2O/c14-12(15)13(18)17-8-6-16(7-9-17)10-11-4-2-1-3-5-11/h1-5,12H,6-10H2/p+1