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

Systemtic Name: 2-[(2R)-6-[(1R)-1-azaniumyl-2-methoxy-ethyl]-2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]ethyl-dimethyl-azanium Openeye Name: 2-[(2R)-6-[(1R)-1-azaniumyl-2-methoxy-ethyl]-2-methyl-3-oxo-1,4-benzoxazin-4-yl]ethyl-dimethyl-ammonium CAS Name: 2-[(2R)-6-[(1R)-1-ammonio-2-methoxyethyl]-2-methyl-3-oxo-1,4-benzoxazin-4-yl]ethyl-dimethylammonium IUPAC Name: 2-[(2R)-6-[(1R)-1-azaniumyl-2-methoxyethyl]-2-methyl-3-oxo-1,4-benzoxazin-4-yl]ethyl-dimethylazanium Traditional Name: 2-[(2R)-6-[(1R)-1-ammonio-2-methoxy-ethyl]-3-keto-2-methyl-1,4-benzoxazin-4-yl]ethyl-dimethyl-ammonium Formula: C16H27N3O3+2 MolecularWeight: 309.40388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O3/c1-11-16(20)19(8-7-18(2)3)14-9-12(13(17)10-21-4)5-6-15(14)22-11/h5-6,9,11,13H,7-8,10,17H2,1-4H3/p+2/t11-,13+/m1/s1