2-[4-oxidanylidene-6-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyran-3-yl]oxy-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[4-oxidanylidene-6-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyran-3-yl]oxy-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-oxo-6-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyran-3-yl]oxy-acetamide CAS Name: 2-[[4-oxo-6-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-3-pyranyl]oxy]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-oxo-6-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyran-3-yl]oxyacetamide Traditional Name: N-benzyl-2-[4-keto-6-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyran-3-yl]oxy-acetamide Formula: C24H25N2O4+ MolecularWeight: 405.4663

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CC3=CC(=O)C(=CO3)OCC(=O)NCC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CC3=CC(=O)C(=CO3)OCC(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C24H24N2O4/c27-22-12-21(15-26-11-10-19-8-4-5-9-20(19)14-26)29-16-23(22)30-17-24(28)25-13-18-6-2-1-3-7-18/h1-9,12,16H,10-11,13-15,17H2,(H,25,28)/p+1