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

Systemtic Name: 2-[6-[(1R)-1-azaniumyl-2-methoxy-ethyl]-3-oxidanylidene-1,4-benzoxazin-4-yl]ethyl-dimethyl-azanium Openeye Name: 2-[6-[(1R)-1-azaniumyl-2-methoxy-ethyl]-3-oxo-1,4-benzoxazin-4-yl]ethyl-dimethyl-ammonium CAS Name: 2-[6-[(1R)-1-ammonio-2-methoxyethyl]-3-oxo-1,4-benzoxazin-4-yl]ethyl-dimethylammonium IUPAC Name: 2-[6-[(1R)-1-azaniumyl-2-methoxyethyl]-3-oxo-1,4-benzoxazin-4-yl]ethyl-dimethylazanium Traditional Name: 2-[6-[(1R)-1-ammonio-2-methoxy-ethyl]-3-keto-1,4-benzoxazin-4-yl]ethyl-dimethyl-ammonium Formula: C15H25N3O3+2 MolecularWeight: 295.3773

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN1C(=O)COC2=C1C=C(C=C2)C(COC)[NH3+]

Isomeric SMILES

C[NH+](C)CCN1C(=O)COC2=C1C=C(C=C2)[C@H](COC)[NH3+]

InChI

InChI=1S/C15H23N3O3/c1-17(2)6-7-18-13-8-11(12(16)9-20-3)4-5-14(13)21-10-15(18)19/h4-5,8,12H,6-7,9-10,16H2,1-3H3/p+2/t12-/m0/s1