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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=CC(=C2)C(CC)[NH3+])OC(C1=O)C

Isomeric SMILES

CCCCN1C2=C(C=CC(=C2)[C@@H](CC)[NH3+])O[C@H](C1=O)C

InChI

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