[(1S)-1-[(2S)-4-(methoxymethyl)-2-methyl-3-oxidanylidene-1,4-benzoxazin-6-yl]ethyl]azanium

Systemtic Name: [(1S)-1-[(2S)-4-(methoxymethyl)-2-methyl-3-oxidanylidene-1,4-benzoxazin-6-yl]ethyl]azanium Openeye Name: [(1S)-1-[(2S)-4-(methoxymethyl)-2-methyl-3-oxo-1,4-benzoxazin-6-yl]ethyl]ammonium CAS Name: [(1S)-1-[(2S)-4-(methoxymethyl)-2-methyl-3-oxo-1,4-benzoxazin-6-yl]ethyl]ammonium IUPAC Name: [(1S)-1-[(2S)-4-(methoxymethyl)-2-methyl-3-oxo-1,4-benzoxazin-6-yl]ethyl]azanium Traditional Name: [(1S)-1-[(2S)-3-keto-4-(methoxymethyl)-2-methyl-1,4-benzoxazin-6-yl]ethyl]ammonium Formula: C13H19N2O3+ MolecularWeight: 251.30156

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=C(O1)C=CC(=C2)C(C)[NH3+])COC

Isomeric SMILES

C[C@H]1C(=O)N(C2=C(O1)C=CC(=C2)[C@H](C)[NH3+])COC

InChI

InChI=1S/C13H18N2O3/c1-8(14)10-4-5-12-11(6-10)15(7-17-3)13(16)9(2)18-12/h4-6,8-9H,7,14H2,1-3H3/p+1/t8-,9-/m0/s1