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

Systemtic Name: 1-[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]phenyl]ethanone CAS Name: 1-[4-[(2S)-2-hydroxy-3-(4-phenyl-1-piperazin-1-iumyl)propoxy]phenyl]ethanone IUPAC Name: 1-[4-[(2S)-2-hydroxy-3-(4-phenylpiperazin-1-ium-1-yl)propoxy]phenyl]ethanone Traditional Name: 1-[4-[(2S)-2-hydroxy-3-(4-phenylpiperazin-1-ium-1-yl)propoxy]phenyl]ethanone Formula: C21H27N2O3+ MolecularWeight: 355.45068

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3/c1-17(24)18-7-9-21(10-8-18)26-16-20(25)15-22-11-13-23(14-12-22)19-5-3-2-4-6-19/h2-10,20,25H,11-16H2,1H3/p+1/t20-/m0/s1