1-[4-[4-[(2S)-2-oxidanyl-2-phenyl-ethyl]piperazin-4-ium-1-yl]phenyl]ethanone

Systemtic Name: 1-[4-[4-[(2S)-2-oxidanyl-2-phenyl-ethyl]piperazin-4-ium-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-[(2S)-2-hydroxy-2-phenyl-ethyl]piperazin-4-ium-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[(2S)-2-hydroxy-2-phenylethyl]-1-piperazin-4-iumyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-4-ium-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-[(2S)-2-hydroxy-2-phenyl-ethyl]piperazin-4-ium-1-yl]phenyl]ethanone Formula: C20H25N2O2+ MolecularWeight: 325.4247

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC(C3=CC=CC=C3)O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)C[C@H](C3=CC=CC=C3)O

InChI

InChI=1S/C20H24N2O2/c1-16(23)17-7-9-19(10-8-17)22-13-11-21(12-14-22)15-20(24)18-5-3-2-4-6-18/h2-10,20,24H,11-15H2,1H3/p+1/t20-/m1/s1