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

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN1C(=O)COC2=C1C=C(C=C2)C(COC)[NH3+]

Isomeric SMILES

C[NH+](C)CCCN1C(=O)COC2=C1C=C(C=C2)[C@H](COC)[NH3+]

InChI

InChI=1S/C16H25N3O3/c1-18(2)7-4-8-19-14-9-12(13(17)10-21-3)5-6-15(14)22-11-16(19)20/h5-6,9,13H,4,7-8,10-11,17H2,1-3H3/p+2/t13-/m0/s1