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

Systemtic Name: 1-[4-(2-oxidanyl-3-phenoxy-propyl)piperazin-4-ium-1-yl]-2,2-diphenyl-ethanone chloride Openeye Name: 1-[4-(2-hydroxy-3-phenoxy-propyl)piperazin-4-ium-1-yl]-2,2-diphenyl-ethanone chloride CAS Name: 1-[4-(2-hydroxy-3-phenoxypropyl)-1-piperazin-4-iumyl]-2,2-diphenylethanone chloride IUPAC Name: 1-[4-(2-hydroxy-3-phenoxypropyl)piperazin-4-ium-1-yl]-2,2-diphenylethanone chloride Traditional Name: 1-[4-(2-hydroxy-3-phenoxy-propyl)piperazin-4-ium-1-yl]-2,2-diphenyl-ethanone chloride Formula: C27H31ClN2O3 MolecularWeight: 466.99964

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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.[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C27H30N2O3.ClH/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;1H