[(2R)-5-methylhexan-2-yl]-[(1S)-1-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethyl]azanium

Systemtic Name: [(2R)-5-methylhexan-2-yl]-[(1S)-1-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethyl]azanium Openeye Name: [(1R)-1,4-dimethylpentyl]-[(1S)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]ammonium CAS Name: [(2R)-5-methylhexan-2-yl]-[(1S)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]ammonium IUPAC Name: [(2R)-5-methylhexan-2-yl]-[(1S)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]azanium Traditional Name: [(1R)-1,4-dimethylpentyl]-[(1S)-1-(3-keto-4H-1,4-benzoxazin-6-yl)ethyl]ammonium Formula: C17H27N2O2+ MolecularWeight: 291.40848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C)[NH2+]C(C)C1=CC2=C(C=C1)OCC(=O)N2

Isomeric SMILES

C[C@H](CCC(C)C)[NH2+][C@@H](C)C1=CC2=C(C=C1)OCC(=O)N2

InChI

InChI=1S/C17H26N2O2/c1-11(2)5-6-12(3)18-13(4)14-7-8-16-15(9-14)19-17(20)10-21-16/h7-9,11-13,18H,5-6,10H2,1-4H3,(H,19,20)/p+1/t12-,13+/m1/s1