4-(azepan-1-ium-1-ylmethyl)-2-methyl-5-oxidanyl-N-[3-(trifluoromethyl)phenyl]-1-benzofuran-3-carboxamide

Systemtic Name: 4-(azepan-1-ium-1-ylmethyl)-2-methyl-5-oxidanyl-N-[3-(trifluoromethyl)phenyl]-1-benzofuran-3-carboxamide Openeye Name: 4-(azepan-1-ium-1-ylmethyl)-5-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]benzofuran-3-carboxamide CAS Name: 4-(1-azepan-1-iumylmethyl)-5-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]-3-benzofurancarboxamide IUPAC Name: 4-(azepan-1-ium-1-ylmethyl)-5-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]-1-benzofuran-3-carboxamide Traditional Name: 4-(azepan-1-ium-1-ylmethyl)-5-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]benzofuran-3-carboxamide Formula: C24H26F3N2O3+ MolecularWeight: 447.47005

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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=CC(=C4)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C24H25F3N2O3/c1-15-21(23(31)28-17-8-6-7-16(13-17)24(25,26)27)22-18(19(30)9-10-20(22)32-15)14-29-11-4-2-3-5-12-29/h6-10,13,30H,2-5,11-12,14H2,1H3,(H,28,31)/p+1