3,4,6-trimethyl-N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1-benzofuran-2-carboxamide

Systemtic Name: 3,4,6-trimethyl-N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1-benzofuran-2-carboxamide Openeye Name: 3,4,6-trimethyl-N-[(2R)-2-(p-tolyl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzofuran-2-carboxamide CAS Name: 3,4,6-trimethyl-N-[(2R)-2-(4-methylphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-2-benzofurancarboxamide IUPAC Name: 3,4,6-trimethyl-N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-1-benzofuran-2-carboxamide Traditional Name: 3,4,6-trimethyl-N-[(2R)-2-(p-tolyl)-2-pyrrolidin-1-ium-1-yl-ethyl]coumarilamide Formula: C25H31N2O2+ MolecularWeight: 391.52584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CNC(=O)C2=C(C3=C(C=C(C=C3O2)C)C)C)[NH+]4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](CNC(=O)C2=C(C3=C(C=C(C=C3O2)C)C)C)[NH+]4CCCC4

InChI

InChI=1S/C25H30N2O2/c1-16-7-9-20(10-8-16)21(27-11-5-6-12-27)15-26-25(28)24-19(4)23-18(3)13-17(2)14-22(23)29-24/h7-10,13-14,21H,5-6,11-12,15H2,1-4H3,(H,26,28)/p+1/t21-/m0/s1