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

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-2-methyl-5-oxidanyl-4-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-3-carboxamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-5-hydroxy-2-methyl-4-(pyrrolidin-1-ium-1-ylmethyl)benzofuran-3-carboxamide CAS Name: N-(3-chloro-2-methylphenyl)-5-hydroxy-2-methyl-4-(1-pyrrolidin-1-iumylmethyl)-3-benzofurancarboxamide IUPAC Name: N-(3-chloro-2-methylphenyl)-5-hydroxy-2-methyl-4-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-3-carboxamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-5-hydroxy-2-methyl-4-(pyrrolidin-1-ium-1-ylmethyl)benzofuran-3-carboxamide Formula: C22H24ClN2O3+ MolecularWeight: 399.89056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)C2=C(OC3=C2C(=C(C=C3)O)C[NH+]4CCCC4)C

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)C2=C(OC3=C2C(=C(C=C3)O)C[NH+]4CCCC4)C

InChI

InChI=1S/C22H23ClN2O3/c1-13-16(23)6-5-7-17(13)24-22(27)20-14(2)28-19-9-8-18(26)15(21(19)20)12-25-10-3-4-11-25/h5-9,26H,3-4,10-12H2,1-2H3,(H,24,27)/p+1