[(1R)-2-methoxy-1-[(2R)-3-oxidanylidene-2-propan-2-yl-4-prop-2-enyl-1,4-benzoxazin-6-yl]ethyl]azanium

Systemtic Name: [(1R)-2-methoxy-1-[(2R)-3-oxidanylidene-2-propan-2-yl-4-prop-2-enyl-1,4-benzoxazin-6-yl]ethyl]azanium Openeye Name: [(1R)-1-[(2R)-4-allyl-2-isopropyl-3-oxo-1,4-benzoxazin-6-yl]-2-methoxy-ethyl]ammonium CAS Name: [(1R)-2-methoxy-1-[(2R)-3-oxo-2-propan-2-yl-4-prop-2-enyl-1,4-benzoxazin-6-yl]ethyl]ammonium IUPAC Name: [(1R)-2-methoxy-1-[(2R)-3-oxo-2-propan-2-yl-4-prop-2-enyl-1,4-benzoxazin-6-yl]ethyl]azanium Traditional Name: [(1R)-1-[(2R)-4-allyl-2-isopropyl-3-keto-1,4-benzoxazin-6-yl]-2-methoxy-ethyl]ammonium Formula: C17H25N2O3+ MolecularWeight: 305.392

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)N(C2=C(O1)C=CC(=C2)C(COC)[NH3+])CC=C

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O3/c1-5-8-19-14-9-12(13(18)10-21-4)6-7-15(14)22-16(11(2)3)17(19)20/h5-7,9,11,13,16H,1,8,10,18H2,2-4H3/p+1/t13-,16+/m0/s1