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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O2/c1-5-12(16)11-6-7-14-13(8-11)17(9(2)3)15(18)10(4)19-14/h6-10,12H,5,16H2,1-4H3/p+1/t10-,12+/m1/s1