4-[(2S)-2-(2,5-dimethylphenyl)-2-oxidanyl-propyl]piperazine-1-carbaldehyde

Systemtic Name: 4-[(2S)-2-(2,5-dimethylphenyl)-2-oxidanyl-propyl]piperazine-1-carbaldehyde Openeye Name: 4-[(2S)-2-(2,5-dimethylphenyl)-2-hydroxy-propyl]piperazine-1-carbaldehyde CAS Name: 4-[(2S)-2-(2,5-dimethylphenyl)-2-hydroxypropyl]-1-piperazinecarboxaldehyde IUPAC Name: 4-[(2S)-2-(2,5-dimethylphenyl)-2-hydroxypropyl]piperazine-1-carbaldehyde Traditional Name: 4-[(2S)-2-(2,5-dimethylphenyl)-2-hydroxy-propyl]piperazine-1-carbaldehyde Formula: C16H24N2O2 MolecularWeight: 276.37396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(C)(CN2CCN(CC2)C=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)[C@@](C)(CN2CCN(CC2)C=O)O

InChI

InChI=1S/C16H24N2O2/c1-13-4-5-14(2)15(10-13)16(3,20)11-17-6-8-18(12-19)9-7-17/h4-5,10,12,20H,6-9,11H2,1-3H3/t16-/m1/s1