4-[(2S)-2-oxidanyl-3-phenoxy-propyl]piperazin-4-ium-2-one

Systemtic Name: 4-[(2S)-2-oxidanyl-3-phenoxy-propyl]piperazin-4-ium-2-one Openeye Name: 4-[(2S)-2-hydroxy-3-phenoxy-propyl]piperazin-4-ium-2-one CAS Name: 4-[(2S)-2-hydroxy-3-phenoxypropyl]-2-piperazin-4-iumone IUPAC Name: 4-[(2S)-2-hydroxy-3-phenoxypropyl]piperazin-4-ium-2-one Traditional Name: 4-[(2S)-2-hydroxy-3-phenoxy-propyl]piperazin-4-ium-2-one Formula: C13H19N2O3+ MolecularWeight: 251.30156

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC(=O)N1)CC(COC2=CC=CC=C2)O

Isomeric SMILES

C1C[NH+](CC(=O)N1)C[C@@H](COC2=CC=CC=C2)O

InChI

InChI=1S/C13H18N2O3/c16-11(8-15-7-6-14-13(17)9-15)10-18-12-4-2-1-3-5-12/h1-5,11,16H,6-10H2,(H,14,17)/p+1/t11-/m0/s1