1-[4-[(2R)-2-oxidanyl-3-(4-phenylpiperazin-1-ium-1-yl)propoxy]phenyl]propan-1-one

Systemtic Name: 1-[4-[(2R)-2-oxidanyl-3-(4-phenylpiperazin-1-ium-1-yl)propoxy]phenyl]propan-1-one Openeye Name: 1-[4-[(2R)-2-hydroxy-3-(4-phenylpiperazin-1-ium-1-yl)propoxy]phenyl]propan-1-one CAS Name: 1-[4-[(2R)-2-hydroxy-3-(4-phenyl-1-piperazin-1-iumyl)propoxy]phenyl]-1-propanone IUPAC Name: 1-[4-[(2R)-2-hydroxy-3-(4-phenylpiperazin-1-ium-1-yl)propoxy]phenyl]propan-1-one Traditional Name: 1-[4-[(2R)-2-hydroxy-3-(4-phenylpiperazin-1-ium-1-yl)propoxy]phenyl]propan-1-one Formula: C22H29N2O3+ MolecularWeight: 369.47726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)OCC(C[NH+]2CCN(CC2)C3=CC=CC=C3)O

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)OC[C@@H](C[NH+]2CCN(CC2)C3=CC=CC=C3)O

InChI

InChI=1S/C22H28N2O3/c1-2-22(26)18-8-10-21(11-9-18)27-17-20(25)16-23-12-14-24(15-13-23)19-6-4-3-5-7-19/h3-11,20,25H,2,12-17H2,1H3/p+1/t20-/m1/s1