3-methyl-N-[2-(3-morpholin-4-ium-4-ylpropylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide

Systemtic Name: 3-methyl-N-[2-(3-morpholin-4-ium-4-ylpropylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide Openeye Name: 3-methyl-N-[2-(3-morpholin-4-ium-4-ylpropylcarbamoyl)phenyl]benzofuran-2-carboxamide CAS Name: 3-methyl-N-[2-[[3-(4-morpholin-4-iumyl)propylamino]-oxomethyl]phenyl]-2-benzofurancarboxamide IUPAC Name: 3-methyl-N-[2-(3-morpholin-4-ium-4-ylpropylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide Traditional Name: 3-methyl-N-[2-(3-morpholin-4-ium-4-ylpropylcarbamoyl)phenyl]coumarilamide Formula: C24H28N3O4+ MolecularWeight: 422.49682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)NC3=CC=CC=C3C(=O)NCCC[NH+]4CCOCC4

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)NC3=CC=CC=C3C(=O)NCCC[NH+]4CCOCC4

InChI

InChI=1S/C24H27N3O4/c1-17-18-7-3-5-10-21(18)31-22(17)24(29)26-20-9-4-2-8-19(20)23(28)25-11-6-12-27-13-15-30-16-14-27/h2-5,7-10H,6,11-16H2,1H3,(H,25,28)(H,26,29)/p+1