N-[(2R)-2-(4-tert-butylphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-5-fluoranyl-3-methyl-1-benzofuran-2-carboxamide

Systemtic Name: N-[(2R)-2-(4-tert-butylphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-5-fluoranyl-3-methyl-1-benzofuran-2-carboxamide Openeye Name: N-[(2R)-2-(4-tert-butylphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-5-fluoro-3-methyl-benzofuran-2-carboxamide CAS Name: N-[(2R)-2-(4-tert-butylphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-5-fluoro-3-methyl-2-benzofurancarboxamide IUPAC Name: N-[(2R)-2-(4-tert-butylphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide Traditional Name: N-[(2R)-2-(4-tert-butylphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-5-fluoro-3-methyl-coumarilamide Formula: C26H32FN2O2+ MolecularWeight: 423.542883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)F)C(=O)NCC(C3=CC=C(C=C3)C(C)(C)C)[NH+]4CCCC4

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)F)C(=O)NC[C@@H](C3=CC=C(C=C3)C(C)(C)C)[NH+]4CCCC4

InChI

InChI=1S/C26H31FN2O2/c1-17-21-15-20(27)11-12-23(21)31-24(17)25(30)28-16-22(29-13-5-6-14-29)18-7-9-19(10-8-18)26(2,3)4/h7-12,15,22H,5-6,13-14,16H2,1-4H3,(H,28,30)/p+1/t22-/m0/s1