[(1S)-1-[(2S)-2-methyl-3-oxidanylidene-4-pentyl-1,4-benzoxazin-6-yl]ethyl]azanium

Systemtic Name: [(1S)-1-[(2S)-2-methyl-3-oxidanylidene-4-pentyl-1,4-benzoxazin-6-yl]ethyl]azanium Openeye Name: [(1S)-1-[(2S)-2-methyl-3-oxo-4-pentyl-1,4-benzoxazin-6-yl]ethyl]ammonium CAS Name: [(1S)-1-[(2S)-2-methyl-3-oxo-4-pentyl-1,4-benzoxazin-6-yl]ethyl]ammonium IUPAC Name: [(1S)-1-[(2S)-2-methyl-3-oxo-4-pentyl-1,4-benzoxazin-6-yl]ethyl]azanium Traditional Name: [(1S)-1-[(2S)-4-amyl-3-keto-2-methyl-1,4-benzoxazin-6-yl]ethyl]ammonium Formula: C16H25N2O2+ MolecularWeight: 277.3819

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(C=CC(=C2)C(C)[NH3+])OC(C1=O)C

Isomeric SMILES

CCCCCN1C2=C(C=CC(=C2)[C@H](C)[NH3+])O[C@H](C1=O)C

InChI

InChI=1S/C16H24N2O2/c1-4-5-6-9-18-14-10-13(11(2)17)7-8-15(14)20-12(3)16(18)19/h7-8,10-12H,4-6,9,17H2,1-3H3/p+1/t11-,12-/m0/s1