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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)COC2=C1C=C(C=C2)C(C)[NH3+]

Isomeric SMILES

CCCCN1C(=O)COC2=C1C=C(C=C2)[C@H](C)[NH3+]

InChI

InChI=1S/C14H20N2O2/c1-3-4-7-16-12-8-11(10(2)15)5-6-13(12)18-9-14(16)17/h5-6,8,10H,3-4,7,9,15H2,1-2H3/p+1/t10-/m0/s1