[(1R)-2-methoxy-1-[(2R)-2-methyl-4-(2-methylpropyl)-3-oxidanylidene-1,4-benzoxazin-6-yl]ethyl]azanium

Systemtic Name: [(1R)-2-methoxy-1-[(2R)-2-methyl-4-(2-methylpropyl)-3-oxidanylidene-1,4-benzoxazin-6-yl]ethyl]azanium Openeye Name: [(1R)-1-[(2R)-4-isobutyl-2-methyl-3-oxo-1,4-benzoxazin-6-yl]-2-methoxy-ethyl]ammonium CAS Name: [(1R)-2-methoxy-1-[(2R)-2-methyl-4-(2-methylpropyl)-3-oxo-1,4-benzoxazin-6-yl]ethyl]ammonium IUPAC Name: [(1R)-2-methoxy-1-[(2R)-2-methyl-4-(2-methylpropyl)-3-oxo-1,4-benzoxazin-6-yl]ethyl]azanium Traditional Name: [(1R)-1-[(2R)-4-isobutyl-3-keto-2-methyl-1,4-benzoxazin-6-yl]-2-methoxy-ethyl]ammonium Formula: C16H25N2O3+ MolecularWeight: 293.3813

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=C(O1)C=CC(=C2)C(COC)[NH3+])CC(C)C

Isomeric SMILES

C[C@@H]1C(=O)N(C2=C(O1)C=CC(=C2)[C@H](COC)[NH3+])CC(C)C

InChI

InChI=1S/C16H24N2O3/c1-10(2)8-18-14-7-12(13(17)9-20-4)5-6-15(14)21-11(3)16(18)19/h5-7,10-11,13H,8-9,17H2,1-4H3/p+1/t11-,13+/m1/s1