5-(2-morpholin-4-yl-2-oxidanylidene-ethoxy)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyran-4-one

Systemtic Name: 5-(2-morpholin-4-yl-2-oxidanylidene-ethoxy)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyran-4-one Openeye Name: 5-(2-morpholino-2-oxo-ethoxy)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyran-4-one CAS Name: 5-[2-(4-morpholinyl)-2-oxoethoxy]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-4-pyranone IUPAC Name: 5-(2-morpholin-4-yl-2-oxoethoxy)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyran-4-one Traditional Name: 5-(2-keto-2-morpholino-ethoxy)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyran-4-one Formula: C21H25N2O5+ MolecularWeight: 385.4336

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CC3=CC(=O)C(=CO3)OCC(=O)N4CCOCC4

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CC3=CC(=O)C(=CO3)OCC(=O)N4CCOCC4

InChI

InChI=1S/C21H24N2O5/c24-19-11-18(13-22-6-5-16-3-1-2-4-17(16)12-22)27-14-20(19)28-15-21(25)23-7-9-26-10-8-23/h1-4,11,14H,5-10,12-13,15H2/p+1