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

Systemtic Name: 4-[(2S)-2-oxidanyl-3-phenylmethoxy-propyl]piperazin-4-ium-2-one Openeye Name: 4-[(2S)-3-benzyloxy-2-hydroxy-propyl]piperazin-4-ium-2-one CAS Name: 4-[(2S)-2-hydroxy-3-phenylmethoxypropyl]-2-piperazin-4-iumone IUPAC Name: 4-[(2S)-2-hydroxy-3-phenylmethoxypropyl]piperazin-4-ium-2-one Traditional Name: 4-[(2S)-3-benzoxy-2-hydroxy-propyl]piperazin-4-ium-2-one Formula: C14H21N2O3+ MolecularWeight: 265.32814

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC(=O)N1)CC(COCC2=CC=CC=C2)O

Isomeric SMILES

C1C[NH+](CC(=O)N1)C[C@@H](COCC2=CC=CC=C2)O

InChI

InChI=1S/C14H20N2O3/c17-13(8-16-7-6-15-14(18)9-16)11-19-10-12-4-2-1-3-5-12/h1-5,13,17H,6-11H2,(H,15,18)/p+1/t13-/m0/s1