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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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