(8-acetyloxy-7-methoxy-2-methyl-3-morpholin-4-yl-isoquinolin-2-ium-5-yl) ethanoate

Systemtic Name: (8-acetyloxy-7-methoxy-2-methyl-3-morpholin-4-yl-isoquinolin-2-ium-5-yl) ethanoate Openeye Name: (8-acetoxy-7-methoxy-2-methyl-3-morpholino-isoquinolin-2-ium-5-yl) acetate CAS Name: acetic acid [8-acetyloxy-7-methoxy-2-methyl-3-(4-morpholinyl)-5-isoquinolin-2-iumyl] ester IUPAC Name: (8-acetyloxy-7-methoxy-2-methyl-3-morpholin-4-ylisoquinolin-2-ium-5-yl) acetate Traditional Name: acetic acid (8-acetoxy-7-methoxy-2-methyl-3-morpholino-isoquinolin-2-ium-5-yl) ester Formula: C19H23N2O6+ MolecularWeight: 375.39572

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC(=C(C2=C[N+](=C(C=C12)N3CCOCC3)C)OC(=O)C)OC

Isomeric SMILES

CC(=O)OC1=CC(=C(C2=C[N+](=C(C=C12)N3CCOCC3)C)OC(=O)C)OC

InChI

InChI=1S/C19H23N2O6/c1-12(22)26-16-10-17(24-4)19(27-13(2)23)15-11-20(3)18(9-14(15)16)21-5-7-25-8-6-21/h9-11H,5-8H2,1-4H3/q+1