methyl-[(2S)-2-oxidanyl-3-(3-oxidanylidene-1,4-benzoxazin-4-yl)propyl]azanium

Systemtic Name: methyl-[(2S)-2-oxidanyl-3-(3-oxidanylidene-1,4-benzoxazin-4-yl)propyl]azanium Openeye Name: [(2S)-2-hydroxy-3-(3-oxo-1,4-benzoxazin-4-yl)propyl]-methyl-ammonium CAS Name: [(2S)-2-hydroxy-3-(3-oxo-1,4-benzoxazin-4-yl)propyl]-methylammonium IUPAC Name: [(2S)-2-hydroxy-3-(3-oxo-1,4-benzoxazin-4-yl)propyl]-methylazanium Traditional Name: [(2S)-2-hydroxy-3-(3-keto-1,4-benzoxazin-4-yl)propyl]-methyl-ammonium Formula: C12H17N2O3+ MolecularWeight: 237.27498

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]CC(CN1C(=O)COC2=CC=CC=C21)O

Isomeric SMILES

C[NH2+]C[C@@H](CN1C(=O)COC2=CC=CC=C21)O

InChI

InChI=1S/C12H16N2O3/c1-13-6-9(15)7-14-10-4-2-3-5-11(10)17-8-12(14)16/h2-5,9,13,15H,6-8H2,1H3/p+1/t9-/m0/s1