ethyl 3-[2-(2-ethoxy-2-oxidanylidene-ethyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium-1-yl]propanoate

Systemtic Name: ethyl 3-[2-(2-ethoxy-2-oxidanylidene-ethyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium-1-yl]propanoate Openeye Name: ethyl 3-[2-(2-ethoxy-2-oxo-ethyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium-1-yl]propanoate CAS Name: 3-[2-(2-ethoxy-2-oxoethyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium-1-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[2-(2-ethoxy-2-oxoethyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium-1-yl]propanoate Traditional Name: 3-[2-(2-ethoxy-2-keto-ethyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium-1-yl]propionic acid ethyl ester Formula: C20H28NO6+ MolecularWeight: 378.43942

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=[N+](CCC2=CC(=C(C=C21)OC)OC)CC(=O)OCC

Isomeric SMILES

CCOC(=O)CCC1=[N+](CCC2=CC(=C(C=C21)OC)OC)CC(=O)OCC

InChI

InChI=1S/C20H28NO6/c1-5-26-19(22)8-7-16-15-12-18(25-4)17(24-3)11-14(15)9-10-21(16)13-20(23)27-6-2/h11-12H,5-10,13H2,1-4H3/q+1