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

Systemtic Name: [(1S)-1-(3-oxidanylidene-4-propan-2-yl-1,4-benzoxazin-6-yl)propyl]azanium Openeye Name: [(1S)-1-(4-isopropyl-3-oxo-1,4-benzoxazin-6-yl)propyl]ammonium CAS Name: [(1S)-1-(3-oxo-4-propan-2-yl-1,4-benzoxazin-6-yl)propyl]ammonium IUPAC Name: [(1S)-1-(3-oxo-4-propan-2-yl-1,4-benzoxazin-6-yl)propyl]azanium Traditional Name: [(1S)-1-(4-isopropyl-3-keto-1,4-benzoxazin-6-yl)propyl]ammonium Formula: C14H21N2O2+ MolecularWeight: 249.32874

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC2=C(C=C1)OCC(=O)N2C(C)C)[NH3+]

Isomeric SMILES

CC[C@@H](C1=CC2=C(C=C1)OCC(=O)N2C(C)C)[NH3+]

InChI

InChI=1S/C14H20N2O2/c1-4-11(15)10-5-6-13-12(7-10)16(9(2)3)14(17)8-18-13/h5-7,9,11H,4,8,15H2,1-3H3/p+1/t11-/m0/s1