N-[(2R)-2-(azepan-1-ium-1-yl)-2-(4-methylphenyl)ethyl]-5-fluoranyl-3-methyl-1-benzofuran-2-carboxamide

Systemtic Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(4-methylphenyl)ethyl]-5-fluoranyl-3-methyl-1-benzofuran-2-carboxamide Openeye Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(p-tolyl)ethyl]-5-fluoro-3-methyl-benzofuran-2-carboxamide CAS Name: N-[(2R)-2-(1-azepan-1-iumyl)-2-(4-methylphenyl)ethyl]-5-fluoro-3-methyl-2-benzofurancarboxamide IUPAC Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(4-methylphenyl)ethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide Traditional Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(p-tolyl)ethyl]-5-fluoro-3-methyl-coumarilamide Formula: C25H30FN2O2+ MolecularWeight: 409.516303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CNC(=O)C2=C(C3=C(O2)C=CC(=C3)F)C)[NH+]4CCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](CNC(=O)C2=C(C3=C(O2)C=CC(=C3)F)C)[NH+]4CCCCCC4

InChI

InChI=1S/C25H29FN2O2/c1-17-7-9-19(10-8-17)22(28-13-5-3-4-6-14-28)16-27-25(29)24-18(2)21-15-20(26)11-12-23(21)30-24/h7-12,15,22H,3-6,13-14,16H2,1-2H3,(H,27,29)/p+1/t22-/m0/s1