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

Systemtic Name: [(1S)-1-(4-ethyl-3-oxidanylidene-1,4-benzoxazin-6-yl)propyl]azanium Openeye Name: [(1S)-1-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)propyl]ammonium CAS Name: [(1S)-1-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)propyl]ammonium IUPAC Name: [(1S)-1-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)propyl]azanium Traditional Name: [(1S)-1-(4-ethyl-3-keto-1,4-benzoxazin-6-yl)propyl]ammonium Formula: C13H19N2O2+ MolecularWeight: 235.30216

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC2=C(C=C1)OCC(=O)N2CC)[NH3+]

Isomeric SMILES

CC[C@@H](C1=CC2=C(C=C1)OCC(=O)N2CC)[NH3+]

InChI

InChI=1S/C13H18N2O2/c1-3-10(14)9-5-6-12-11(7-9)15(4-2)13(16)8-17-12/h5-7,10H,3-4,8,14H2,1-2H3/p+1/t10-/m0/s1