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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C=CC(=C2)C(COC)[NH3+])OC(C1=O)(C)C

Isomeric SMILES

CC(C)CN1C2=C(C=CC(=C2)[C@H](COC)[NH3+])OC(C1=O)(C)C

InChI

InChI=1S/C17H26N2O3/c1-11(2)9-19-14-8-12(13(18)10-21-5)6-7-15(14)22-17(3,4)16(19)20/h6-8,11,13H,9-10,18H2,1-5H3/p+1/t13-/m0/s1