N-[(4S)-4-azanyl-5-oxidanyl-5-oxidanylidene-pentyl]-1-phenyl-methanimine oxide

Systemtic Name: N-[(4S)-4-azanyl-5-oxidanyl-5-oxidanylidene-pentyl]-1-phenyl-methanimine oxide Openeye Name: N-[(4S)-4-amino-5-hydroxy-5-oxo-pentyl]-1-phenyl-methanimine oxide CAS Name: N-[(4S)-4-amino-5-hydroxy-5-oxopentyl]-1-phenylmethanimine oxide IUPAC Name: N-[(4S)-4-amino-5-hydroxy-5-oxopentyl]-1-phenylmethanimine oxide Traditional Name: N-[(4S)-4-amino-5-hydroxy-5-keto-pentyl]-1-phenyl-methanimine oxide Formula: C12H16N2O3 MolecularWeight: 236.26704

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=[N+](CCCC(C(=O)O)N)[O-]

Isomeric SMILES

C1=CC=C(C=C1)/C=[N+](/CCC[C@@H](C(=O)O)N)\[O-]

InChI

InChI=1S/C12H16N2O3/c13-11(12(15)16)7-4-8-14(17)9-10-5-2-1-3-6-10/h1-3,5-6,9,11H,4,7-8,13H2,(H,15,16)/b14-9-/t11-/m0/s1