6-chloranyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-2H-chromene-3-carboxamide

Systemtic Name: 6-chloranyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-2H-chromene-3-carboxamide Openeye Name: 6-chloro-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-2H-chromene-3-carboxamide CAS Name: 6-chloro-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-2H-1-benzopyran-3-carboxamide IUPAC Name: 6-chloro-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-2H-chromene-3-carboxamide Traditional Name: 6-chloro-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-2H-chromene-3-carboxamide Formula: C20H21ClN3O3+ MolecularWeight: 386.85204

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)C3=CC4=C(C=CC(=C4)Cl)OC3

Isomeric SMILES

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)C3=CC4=C(C=CC(=C4)Cl)OC3

InChI

InChI=1S/C20H20ClN3O3/c21-17-2-3-18-15(10-17)9-16(13-27-18)20(25)23-12-14-1-4-19(22-11-14)24-5-7-26-8-6-24/h1-4,9-11H,5-8,12-13H2,(H,23,25)/p+1