[(1S)-1-[(2R)-2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl]propyl]azanium

Systemtic Name: [(1S)-1-[(2R)-2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl]propyl]azanium Openeye Name: [(1S)-1-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]propyl]ammonium CAS Name: [(1S)-1-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]propyl]ammonium IUPAC Name: [(1S)-1-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]propyl]azanium Traditional Name: [(1S)-1-[(2R)-3-keto-2-methyl-4H-1,4-benzoxazin-6-yl]propyl]ammonium Formula: C12H17N2O2+ MolecularWeight: 221.27558

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC2=C(C=C1)OC(C(=O)N2)C)[NH3+]

Isomeric SMILES

CC[C@@H](C1=CC2=C(C=C1)O[C@@H](C(=O)N2)C)[NH3+]

InChI

InChI=1S/C12H16N2O2/c1-3-9(13)8-4-5-11-10(6-8)14-12(15)7(2)16-11/h4-7,9H,3,13H2,1-2H3,(H,14,15)/p+1/t7-,9+/m1/s1