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

Systemtic Name: [(1R)-2-methoxy-1-[(2R)-2-methyl-4-(3-methylbutyl)-3-oxidanylidene-1,4-benzoxazin-6-yl]ethyl]azanium Openeye Name: [(1R)-1-[(2R)-4-isopentyl-2-methyl-3-oxo-1,4-benzoxazin-6-yl]-2-methoxy-ethyl]ammonium CAS Name: [(1R)-2-methoxy-1-[(2R)-2-methyl-4-(3-methylbutyl)-3-oxo-1,4-benzoxazin-6-yl]ethyl]ammonium IUPAC Name: [(1R)-2-methoxy-1-[(2R)-2-methyl-4-(3-methylbutyl)-3-oxo-1,4-benzoxazin-6-yl]ethyl]azanium Traditional Name: [(1R)-1-[(2R)-4-isoamyl-3-keto-2-methyl-1,4-benzoxazin-6-yl]-2-methoxy-ethyl]ammonium Formula: C17H27N2O3+ MolecularWeight: 307.40788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O3/c1-11(2)7-8-19-15-9-13(14(18)10-21-4)5-6-16(15)22-12(3)17(19)20/h5-6,9,11-12,14H,7-8,10,18H2,1-4H3/p+1/t12-,14+/m1/s1