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

Systemtic Name: 4-[(2S)-2-oxidanyl-3-phenoxy-propyl]piperazin-4-ium-1-carbaldehyde Openeye Name: 4-[(2S)-2-hydroxy-3-phenoxy-propyl]piperazin-4-ium-1-carbaldehyde CAS Name: 4-[(2S)-2-hydroxy-3-phenoxypropyl]-1-piperazin-4-iumcarboxaldehyde IUPAC Name: 4-[(2S)-2-hydroxy-3-phenoxypropyl]piperazin-4-ium-1-carbaldehyde Traditional Name: 4-[(2S)-2-hydroxy-3-phenoxy-propyl]piperazin-4-ium-1-carbaldehyde Formula: C14H21N2O3+ MolecularWeight: 265.32814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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