1-[2-[3-[4-(phenylmethyl)piperazin-1-ium-1-yl]propoxy]phenyl]propan-1-one

Systemtic Name: 1-[2-[3-[4-(phenylmethyl)piperazin-1-ium-1-yl]propoxy]phenyl]propan-1-one Openeye Name: 1-[2-[3-(4-benzylpiperazin-1-ium-1-yl)propoxy]phenyl]propan-1-one CAS Name: 1-[2-[3-[4-(phenylmethyl)-1-piperazin-1-iumyl]propoxy]phenyl]-1-propanone IUPAC Name: 1-[2-[3-(4-benzylpiperazin-1-ium-1-yl)propoxy]phenyl]propan-1-one Traditional Name: 1-[2-[3-(4-benzylpiperazin-1-ium-1-yl)propoxy]phenyl]propan-1-one Formula: C23H31N2O2+ MolecularWeight: 367.50444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=CC=C1OCCC[NH+]2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CCC(=O)C1=CC=CC=C1OCCC[NH+]2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C23H30N2O2/c1-2-22(26)21-11-6-7-12-23(21)27-18-8-13-24-14-16-25(17-15-24)19-20-9-4-3-5-10-20/h3-7,9-12H,2,8,13-19H2,1H3/p+1