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

Systemtic Name: 1-[3-methoxy-4-[(2S)-2-oxidanyl-3-(4-phenylpiperazin-1-ium-1-yl)propoxy]phenyl]ethanone Openeye Name: 1-[4-[(2S)-2-hydroxy-3-(4-phenylpiperazin-1-ium-1-yl)propoxy]-3-methoxy-phenyl]ethanone CAS Name: 1-[4-[(2S)-2-hydroxy-3-(4-phenyl-1-piperazin-1-iumyl)propoxy]-3-methoxyphenyl]ethanone IUPAC Name: 1-[4-[(2S)-2-hydroxy-3-(4-phenylpiperazin-1-ium-1-yl)propoxy]-3-methoxyphenyl]ethanone Traditional Name: 1-[4-[(2S)-2-hydroxy-3-(4-phenylpiperazin-1-ium-1-yl)propoxy]-3-methoxy-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=CC=C3)O)OC

Isomeric SMILES

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

InChI

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