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

Systemtic Name: 5-(2-oxidanylidene-2-piperidin-1-yl-ethoxy)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyran-4-one Openeye Name: 5-[2-oxo-2-(1-piperidyl)ethoxy]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyran-4-one CAS Name: 5-[2-oxo-2-(1-piperidinyl)ethoxy]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-4-pyranone IUPAC Name: 5-(2-oxo-2-piperidin-1-ylethoxy)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyran-4-one Traditional Name: 5-(2-keto-2-piperidino-ethoxy)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyran-4-one Formula: C22H27N2O4+ MolecularWeight: 383.46078

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)COC2=COC(=CC2=O)C[NH+]3CCC4=CC=CC=C4C3

Isomeric SMILES

C1CCN(CC1)C(=O)COC2=COC(=CC2=O)C[NH+]3CCC4=CC=CC=C4C3

InChI

InChI=1S/C22H26N2O4/c25-20-12-19(14-23-11-8-17-6-2-3-7-18(17)13-23)27-15-21(20)28-16-22(26)24-9-4-1-5-10-24/h2-3,6-7,12,15H,1,4-5,8-11,13-14,16H2/p+1