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

Systemtic Name: 2-methyl-N-(2-methylphenyl)-5-oxidanyl-4-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-3-carboxamide Openeye Name: 5-hydroxy-2-methyl-N-(o-tolyl)-4-(piperidin-1-ium-1-ylmethyl)benzofuran-3-carboxamide CAS Name: 5-hydroxy-2-methyl-N-(2-methylphenyl)-4-(1-piperidin-1-iumylmethyl)-3-benzofurancarboxamide IUPAC Name: 5-hydroxy-2-methyl-N-(2-methylphenyl)-4-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-3-carboxamide Traditional Name: 5-hydroxy-2-methyl-N-(o-tolyl)-4-(piperidin-1-ium-1-ylmethyl)benzofuran-3-carboxamide Formula: C23H27N2O3+ MolecularWeight: 379.47208

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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+]4CCCCC4)C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C2=C(OC3=C2C(=C(C=C3)O)C[NH+]4CCCCC4)C

InChI

InChI=1S/C23H26N2O3/c1-15-8-4-5-9-18(15)24-23(27)21-16(2)28-20-11-10-19(26)17(22(20)21)14-25-12-6-3-7-13-25/h4-5,8-11,26H,3,6-7,12-14H2,1-2H3,(H,24,27)/p+1