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

Systemtic Name: [(1S)-1-[(2S)-4-hexyl-2-methyl-3-oxidanylidene-1,4-benzoxazin-6-yl]ethyl]azanium Openeye Name: [(1S)-1-[(2S)-4-hexyl-2-methyl-3-oxo-1,4-benzoxazin-6-yl]ethyl]ammonium CAS Name: [(1S)-1-[(2S)-4-hexyl-2-methyl-3-oxo-1,4-benzoxazin-6-yl]ethyl]ammonium IUPAC Name: [(1S)-1-[(2S)-4-hexyl-2-methyl-3-oxo-1,4-benzoxazin-6-yl]ethyl]azanium Traditional Name: [(1S)-1-[(2S)-4-hexyl-3-keto-2-methyl-1,4-benzoxazin-6-yl]ethyl]ammonium Formula: C17H27N2O2+ MolecularWeight: 291.40848

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(C=CC(=C2)C(C)[NH3+])OC(C1=O)C

Isomeric SMILES

CCCCCCN1C2=C(C=CC(=C2)[C@H](C)[NH3+])O[C@H](C1=O)C

InChI

InChI=1S/C17H26N2O2/c1-4-5-6-7-10-19-15-11-14(12(2)18)8-9-16(15)21-13(3)17(19)20/h8-9,11-13H,4-7,10,18H2,1-3H3/p+1/t12-,13-/m0/s1