1-[4-[(2R)-2-oxidanyl-3-phenoxy-propyl]piperazin-4-ium-1-yl]-2,2-diphenyl-ethanone

Systemtic Name: 1-[4-[(2R)-2-oxidanyl-3-phenoxy-propyl]piperazin-4-ium-1-yl]-2,2-diphenyl-ethanone Openeye Name: 1-[4-[(2R)-2-hydroxy-3-phenoxy-propyl]piperazin-4-ium-1-yl]-2,2-diphenyl-ethanone CAS Name: 1-[4-[(2R)-2-hydroxy-3-phenoxypropyl]-1-piperazin-4-iumyl]-2,2-diphenylethanone IUPAC Name: 1-[4-[(2R)-2-hydroxy-3-phenoxypropyl]piperazin-4-ium-1-yl]-2,2-diphenylethanone Traditional Name: 1-[4-[(2R)-2-hydroxy-3-phenoxy-propyl]piperazin-4-ium-1-yl]-2,2-diphenyl-ethanone Formula: C27H31N2O3+ MolecularWeight: 431.54664

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(COC2=CC=CC=C2)O)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1C[C@H](COC2=CC=CC=C2)O)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H30N2O3/c30-24(21-32-25-14-8-3-9-15-25)20-28-16-18-29(19-17-28)27(31)26(22-10-4-1-5-11-22)23-12-6-2-7-13-23/h1-15,24,26,30H,16-21H2/p+1/t24-/m1/s1