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

Systemtic Name: N-tert-butyl-2-[4-oxidanylidene-6-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyran-3-yl]oxy-ethanamide Openeye Name: N-tert-butyl-2-[4-oxo-6-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyran-3-yl]oxy-acetamide CAS Name: N-tert-butyl-2-[[4-oxo-6-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-3-pyranyl]oxy]acetamide IUPAC Name: N-tert-butyl-2-[4-oxo-6-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyran-3-yl]oxyacetamide Traditional Name: N-tert-butyl-2-[4-keto-6-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyran-3-yl]oxy-acetamide Formula: C21H27N2O4+ MolecularWeight: 371.45008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O4/c1-21(2,3)22-20(25)14-27-19-13-26-17(10-18(19)24)12-23-9-8-15-6-4-5-7-16(15)11-23/h4-7,10,13H,8-9,11-12,14H2,1-3H3,(H,22,25)/p+1