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

Systemtic Name: 5-(2-oxidanylidene-2-pyrrolidin-1-yl-ethoxy)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyran-4-one Openeye Name: 5-(2-oxo-2-pyrrolidin-1-yl-ethoxy)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyran-4-one CAS Name: 5-[2-oxo-2-(1-pyrrolidinyl)ethoxy]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-4-pyranone IUPAC Name: 5-(2-oxo-2-pyrrolidin-1-ylethoxy)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyran-4-one Traditional Name: 5-(2-keto-2-pyrrolidino-ethoxy)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyran-4-one Formula: C21H25N2O4+ MolecularWeight: 369.4342

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)COC2=COC(=CC2=O)C[NH+]3CCC4=CC=CC=C4C3

Isomeric SMILES

C1CCN(C1)C(=O)COC2=COC(=CC2=O)C[NH+]3CCC4=CC=CC=C4C3

InChI

InChI=1S/C21H24N2O4/c24-19-11-18(13-22-10-7-16-5-1-2-6-17(16)12-22)26-14-20(19)27-15-21(25)23-8-3-4-9-23/h1-2,5-6,11,14H,3-4,7-10,12-13,15H2/p+1