1-[2-[(2R)-2-oxidanyl-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propoxy]phenyl]ethanone

Systemtic Name: 1-[2-[(2R)-2-oxidanyl-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propoxy]phenyl]ethanone Openeye Name: 1-[2-[(2R)-3-(4-benzylpiperazin-4-ium-1-yl)-2-hydroxy-propoxy]phenyl]ethanone CAS Name: 1-[2-[(2R)-2-hydroxy-3-[4-(phenylmethyl)-1-piperazin-4-iumyl]propoxy]phenyl]ethanone IUPAC Name: 1-[2-[(2R)-3-(4-benzylpiperazin-4-ium-1-yl)-2-hydroxypropoxy]phenyl]ethanone Traditional Name: 1-[2-[(2R)-3-(4-benzylpiperazin-4-ium-1-yl)-2-hydroxy-propoxy]phenyl]ethanone Formula: C22H29N2O3+ MolecularWeight: 369.47726

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC=C1OCC(CN2CC[NH+](CC2)CC3=CC=CC=C3)O

Isomeric SMILES

CC(=O)C1=CC=CC=C1OC[C@@H](CN2CC[NH+](CC2)CC3=CC=CC=C3)O

InChI

InChI=1S/C22H28N2O3/c1-18(25)21-9-5-6-10-22(21)27-17-20(26)16-24-13-11-23(12-14-24)15-19-7-3-2-4-8-19/h2-10,20,26H,11-17H2,1H3/p+1/t20-/m1/s1