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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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