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

Systemtic Name: [(1S)-1-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethyl]-prop-2-ynyl-azanium Openeye Name: [(1S)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-prop-2-ynyl-ammonium CAS Name: [(1S)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-prop-2-ynylammonium IUPAC Name: [(1S)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-prop-2-ynylazanium Traditional Name: [(1S)-1-(3-keto-4H-1,4-benzoxazin-6-yl)ethyl]-propargyl-ammonium Formula: C13H15N2O2+ MolecularWeight: 231.2704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O2/c1-3-6-14-9(2)10-4-5-12-11(7-10)15-13(16)8-17-12/h1,4-5,7,9,14H,6,8H2,2H3,(H,15,16)/p+1/t9-/m0/s1