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

Systemtic Name: [(1S)-1-(3-oxidanylidene-4-prop-2-enyl-1,4-benzoxazin-6-yl)propyl]azanium Openeye Name: [(1S)-1-(4-allyl-3-oxo-1,4-benzoxazin-6-yl)propyl]ammonium CAS Name: [(1S)-1-(3-oxo-4-prop-2-enyl-1,4-benzoxazin-6-yl)propyl]ammonium IUPAC Name: [(1S)-1-(3-oxo-4-prop-2-enyl-1,4-benzoxazin-6-yl)propyl]azanium Traditional Name: [(1S)-1-(4-allyl-3-keto-1,4-benzoxazin-6-yl)propyl]ammonium Formula: C14H19N2O2+ MolecularWeight: 247.31286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O2/c1-3-7-16-12-8-10(11(15)4-2)5-6-13(12)18-9-14(16)17/h3,5-6,8,11H,1,4,7,9,15H2,2H3/p+1/t11-/m0/s1