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

Systemtic Name: [(1S)-1-[(2S)-2-methyl-3-oxidanylidene-4-propyl-1,4-benzoxazin-6-yl]ethyl]azanium Openeye Name: [(1S)-1-[(2S)-2-methyl-3-oxo-4-propyl-1,4-benzoxazin-6-yl]ethyl]ammonium CAS Name: [(1S)-1-[(2S)-2-methyl-3-oxo-4-propyl-1,4-benzoxazin-6-yl]ethyl]ammonium IUPAC Name: [(1S)-1-[(2S)-2-methyl-3-oxo-4-propyl-1,4-benzoxazin-6-yl]ethyl]azanium Traditional Name: [(1S)-1-[(2S)-3-keto-2-methyl-4-propyl-1,4-benzoxazin-6-yl]ethyl]ammonium Formula: C14H21N2O2+ MolecularWeight: 249.32874

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=CC(=C2)C(C)[NH3+])OC(C1=O)C

Isomeric SMILES

CCCN1C2=C(C=CC(=C2)[C@H](C)[NH3+])O[C@H](C1=O)C

InChI

InChI=1S/C14H20N2O2/c1-4-7-16-12-8-11(9(2)15)5-6-13(12)18-10(3)14(16)17/h5-6,8-10H,4,7,15H2,1-3H3/p+1/t9-,10-/m0/s1