4-[(2S)-2-(1,3-benzodioxol-5-yl)-2-oxidanyl-ethyl]piperazine-1-carbaldehyde

Systemtic Name: 4-[(2S)-2-(1,3-benzodioxol-5-yl)-2-oxidanyl-ethyl]piperazine-1-carbaldehyde Openeye Name: 4-[(2S)-2-(1,3-benzodioxol-5-yl)-2-hydroxy-ethyl]piperazine-1-carbaldehyde CAS Name: 4-[(2S)-2-(1,3-benzodioxol-5-yl)-2-hydroxyethyl]-1-piperazinecarboxaldehyde IUPAC Name: 4-[(2S)-2-(1,3-benzodioxol-5-yl)-2-hydroxyethyl]piperazine-1-carbaldehyde Traditional Name: 4-[(2S)-2-(1,3-benzodioxol-5-yl)-2-hydroxy-ethyl]piperazine-1-carbaldehyde Formula: C14H18N2O4 MolecularWeight: 278.30372

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(C2=CC3=C(C=C2)OCO3)O)C=O

Isomeric SMILES

C1CN(CCN1C[C@H](C2=CC3=C(C=C2)OCO3)O)C=O

InChI

InChI=1S/C14H18N2O4/c17-9-16-5-3-15(4-6-16)8-12(18)11-1-2-13-14(7-11)20-10-19-13/h1-2,7,9,12,18H,3-6,8,10H2/t12-/m1/s1