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

Systemtic Name: 1-[4-[(2S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-2-oxidanyl-propoxy]phenyl]ethanone Openeye Name: 1-[4-[(2S)-2-hydroxy-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propoxy]phenyl]ethanone CAS Name: 1-[4-[(2S)-2-hydroxy-3-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]propoxy]phenyl]ethanone IUPAC Name: 1-[4-[(2S)-2-hydroxy-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propoxy]phenyl]ethanone Traditional Name: 1-[4-[(2S)-2-hydroxy-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propoxy]phenyl]ethanone Formula: C22H29N2O4+ MolecularWeight: 385.47666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O4/c1-17(25)18-3-7-22(8-4-18)28-16-20(26)15-23-11-13-24(14-12-23)19-5-9-21(27-2)10-6-19/h3-10,20,26H,11-16H2,1-2H3/p+1/t20-/m0/s1