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

Systemtic Name: 2-[4-oxidanylidene-6-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyran-3-yl]oxy-N-prop-2-enyl-ethanamide Openeye Name: N-allyl-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-prop-2-enylacetamide IUPAC Name: 2-[4-oxo-6-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyran-3-yl]oxy-N-prop-2-enylacetamide Traditional Name: N-allyl-2-[4-keto-6-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyran-3-yl]oxy-acetamide Formula: C20H23N2O4+ MolecularWeight: 355.40762

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)COC1=COC(=CC1=O)C[NH+]2CCC3=CC=CC=C3C2

Isomeric SMILES

C=CCNC(=O)COC1=COC(=CC1=O)C[NH+]2CCC3=CC=CC=C3C2

InChI

InChI=1S/C20H22N2O4/c1-2-8-21-20(24)14-26-19-13-25-17(10-18(19)23)12-22-9-7-15-5-3-4-6-16(15)11-22/h2-6,10,13H,1,7-9,11-12,14H2,(H,21,24)/p+1