4-(azepan-1-ium-1-ylmethyl)-N-(3-chloranyl-4-methoxy-phenyl)-2-methyl-5-oxidanyl-1-benzofuran-3-carboxamide

Systemtic Name: 4-(azepan-1-ium-1-ylmethyl)-N-(3-chloranyl-4-methoxy-phenyl)-2-methyl-5-oxidanyl-1-benzofuran-3-carboxamide Openeye Name: 4-(azepan-1-ium-1-ylmethyl)-N-(3-chloro-4-methoxy-phenyl)-5-hydroxy-2-methyl-benzofuran-3-carboxamide CAS Name: 4-(1-azepan-1-iumylmethyl)-N-(3-chloro-4-methoxyphenyl)-5-hydroxy-2-methyl-3-benzofurancarboxamide IUPAC Name: 4-(azepan-1-ium-1-ylmethyl)-N-(3-chloro-4-methoxyphenyl)-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide Traditional Name: 4-(azepan-1-ium-1-ylmethyl)-N-(3-chloro-4-methoxy-phenyl)-5-hydroxy-2-methyl-benzofuran-3-carboxamide Formula: C24H28ClN2O4+ MolecularWeight: 443.94312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(O1)C=CC(=C2C[NH+]3CCCCCC3)O)C(=O)NC4=CC(=C(C=C4)OC)Cl

Isomeric SMILES

CC1=C(C2=C(O1)C=CC(=C2C[NH+]3CCCCCC3)O)C(=O)NC4=CC(=C(C=C4)OC)Cl

InChI

InChI=1S/C24H27ClN2O4/c1-15-22(24(29)26-16-7-9-20(30-2)18(25)13-16)23-17(19(28)8-10-21(23)31-15)14-27-11-5-3-4-6-12-27/h7-10,13,28H,3-6,11-12,14H2,1-2H3,(H,26,29)/p+1