3-(methylsulfanylmethyl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-1-benzofuran-2-carboxamide

Systemtic Name: 3-(methylsulfanylmethyl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-1-benzofuran-2-carboxamide Openeye Name: 3-(methylsulfanylmethyl)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]benzofuran-2-carboxamide CAS Name: 3-[(methylthio)methyl]-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-2-benzofurancarboxamide IUPAC Name: 3-(methylsulfanylmethyl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-1-benzofuran-2-carboxamide Traditional Name: 3-[(methylthio)methyl]-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]coumarilamide Formula: C21H24N3O3S+ MolecularWeight: 398.49856

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=C(OC2=CC=CC=C21)C(=O)NCC3=C[NH+]=C(C=C3)N4CCOCC4

Isomeric SMILES

CSCC1=C(OC2=CC=CC=C21)C(=O)NCC3=C[NH+]=C(C=C3)N4CCOCC4

InChI

InChI=1S/C21H23N3O3S/c1-28-14-17-16-4-2-3-5-18(16)27-20(17)21(25)23-13-15-6-7-19(22-12-15)24-8-10-26-11-9-24/h2-7,12H,8-11,13-14H2,1H3,(H,23,25)/p+1