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

Systemtic Name: 1-[4-[(2S)-2-oxidanyl-3-phenoxy-propyl]piperazin-4-ium-1-yl]-2-phenoxy-ethanone Openeye Name: 1-[4-[(2S)-2-hydroxy-3-phenoxy-propyl]piperazin-4-ium-1-yl]-2-phenoxy-ethanone CAS Name: 1-[4-[(2S)-2-hydroxy-3-phenoxypropyl]-1-piperazin-4-iumyl]-2-phenoxyethanone IUPAC Name: 1-[4-[(2S)-2-hydroxy-3-phenoxypropyl]piperazin-4-ium-1-yl]-2-phenoxyethanone Traditional Name: 1-[4-[(2S)-2-hydroxy-3-phenoxy-propyl]piperazin-4-ium-1-yl]-2-phenoxy-ethanone Formula: C21H27N2O4+ MolecularWeight: 371.45008

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(COC2=CC=CC=C2)O)C(=O)COC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1C[C@@H](COC2=CC=CC=C2)O)C(=O)COC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O4/c24-18(16-26-19-7-3-1-4-8-19)15-22-11-13-23(14-12-22)21(25)17-27-20-9-5-2-6-10-20/h1-10,18,24H,11-17H2/p+1/t18-/m0/s1