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

Systemtic Name: [(1R)-1-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethyl]-[(2S)-pentan-2-yl]azanium Openeye Name: [(1S)-1-methylbutyl]-[(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]ammonium CAS Name: [(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-[(2S)-pentan-2-yl]ammonium IUPAC Name: [(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-[(2S)-pentan-2-yl]azanium Traditional Name: [(1R)-1-(3-keto-4H-1,4-benzoxazin-6-yl)ethyl]-[(1S)-1-methylbutyl]ammonium Formula: C15H23N2O2+ MolecularWeight: 263.35532

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)[NH2+]C(C)C1=CC2=C(C=C1)OCC(=O)N2

Isomeric SMILES

CCC[C@H](C)[NH2+][C@H](C)C1=CC2=C(C=C1)OCC(=O)N2

InChI

InChI=1S/C15H22N2O2/c1-4-5-10(2)16-11(3)12-6-7-14-13(8-12)17-15(18)9-19-14/h6-8,10-11,16H,4-5,9H2,1-3H3,(H,17,18)/p+1/t10-,11+/m0/s1