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

Systemtic Name: 1-[4-[(2S)-2-oxidanyl-3-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]propoxy]phenyl]ethanone Openeye Name: 1-[4-[(2S)-3-(4-benzoylpiperazin-1-ium-1-yl)-2-hydroxy-propoxy]phenyl]ethanone CAS Name: 1-[4-[(2S)-3-(4-benzoyl-1-piperazin-1-iumyl)-2-hydroxypropoxy]phenyl]ethanone IUPAC Name: 1-[4-[(2S)-3-(4-benzoylpiperazin-1-ium-1-yl)-2-hydroxypropoxy]phenyl]ethanone Traditional Name: 1-[4-[(2S)-3-(4-benzoylpiperazin-1-ium-1-yl)-2-hydroxy-propoxy]phenyl]ethanone Formula: C22H27N2O4+ MolecularWeight: 383.46078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O4/c1-17(25)18-7-9-21(10-8-18)28-16-20(26)15-23-11-13-24(14-12-23)22(27)19-5-3-2-4-6-19/h2-10,20,26H,11-16H2,1H3/p+1/t20-/m0/s1