2-methyl-N-(2-methylphenyl)-4-(morpholin-4-ium-4-ylmethyl)-5-oxidanyl-1-benzofuran-3-carboxamide

Systemtic Name: 2-methyl-N-(2-methylphenyl)-4-(morpholin-4-ium-4-ylmethyl)-5-oxidanyl-1-benzofuran-3-carboxamide Openeye Name: 5-hydroxy-2-methyl-4-(morpholin-4-ium-4-ylmethyl)-N-(o-tolyl)benzofuran-3-carboxamide CAS Name: 5-hydroxy-2-methyl-N-(2-methylphenyl)-4-(4-morpholin-4-iumylmethyl)-3-benzofurancarboxamide IUPAC Name: 5-hydroxy-2-methyl-N-(2-methylphenyl)-4-(morpholin-4-ium-4-ylmethyl)-1-benzofuran-3-carboxamide Traditional Name: 5-hydroxy-2-methyl-4-(morpholin-4-ium-4-ylmethyl)-N-(o-tolyl)benzofuran-3-carboxamide Formula: C22H25N2O4+ MolecularWeight: 381.4449

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C2=C(OC3=C2C(=C(C=C3)O)C[NH+]4CCOCC4)C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C2=C(OC3=C2C(=C(C=C3)O)C[NH+]4CCOCC4)C

InChI

InChI=1S/C22H24N2O4/c1-14-5-3-4-6-17(14)23-22(26)20-15(2)28-19-8-7-18(25)16(21(19)20)13-24-9-11-27-12-10-24/h3-8,25H,9-13H2,1-2H3,(H,23,26)/p+1