[(1S)-1-[4-(methoxymethyl)-3-oxidanylidene-1,4-benzoxazin-6-yl]ethyl]azanium

Systemtic Name: [(1S)-1-[4-(methoxymethyl)-3-oxidanylidene-1,4-benzoxazin-6-yl]ethyl]azanium Openeye Name: [(1S)-1-[4-(methoxymethyl)-3-oxo-1,4-benzoxazin-6-yl]ethyl]ammonium CAS Name: [(1S)-1-[4-(methoxymethyl)-3-oxo-1,4-benzoxazin-6-yl]ethyl]ammonium IUPAC Name: [(1S)-1-[4-(methoxymethyl)-3-oxo-1,4-benzoxazin-6-yl]ethyl]azanium Traditional Name: [(1S)-1-[3-keto-4-(methoxymethyl)-1,4-benzoxazin-6-yl]ethyl]ammonium Formula: C12H17N2O3+ MolecularWeight: 237.27498

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCC(=O)N2COC)[NH3+]

Isomeric SMILES

C[C@@H](C1=CC2=C(C=C1)OCC(=O)N2COC)[NH3+]

InChI

InChI=1S/C12H16N2O3/c1-8(13)9-3-4-11-10(5-9)14(7-16-2)12(15)6-17-11/h3-5,8H,6-7,13H2,1-2H3/p+1/t8-/m0/s1