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

Systemtic Name: N-(4-ethylphenyl)-2-[4-oxidanylidene-6-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyran-3-yl]oxy-ethanamide Openeye Name: N-(4-ethylphenyl)-2-[4-oxo-6-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyran-3-yl]oxy-acetamide CAS Name: N-(4-ethylphenyl)-2-[[4-oxo-6-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-3-pyranyl]oxy]acetamide IUPAC Name: N-(4-ethylphenyl)-2-[4-oxo-6-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyran-3-yl]oxyacetamide Traditional Name: N-(4-ethylphenyl)-2-[4-keto-6-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyran-3-yl]oxy-acetamide Formula: C25H27N2O4+ MolecularWeight: 419.49288

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)COC2=COC(=CC2=O)C[NH+]3CCC4=CC=CC=C4C3

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)COC2=COC(=CC2=O)C[NH+]3CCC4=CC=CC=C4C3

InChI

InChI=1S/C25H26N2O4/c1-2-18-7-9-21(10-8-18)26-25(29)17-31-24-16-30-22(13-23(24)28)15-27-12-11-19-5-3-4-6-20(19)14-27/h3-10,13,16H,2,11-12,14-15,17H2,1H3,(H,26,29)/p+1