3,5,6-trimethyl-N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ium-1-yl-ethyl]-1-benzofuran-2-carboxamide

Systemtic Name: 3,5,6-trimethyl-N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ium-1-yl-ethyl]-1-benzofuran-2-carboxamide Openeye Name: 3,5,6-trimethyl-N-[(2R)-2-piperidin-1-ium-1-yl-2-(p-tolyl)ethyl]benzofuran-2-carboxamide CAS Name: 3,5,6-trimethyl-N-[(2R)-2-(4-methylphenyl)-2-(1-piperidin-1-iumyl)ethyl]-2-benzofurancarboxamide IUPAC Name: 3,5,6-trimethyl-N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ium-1-ylethyl]-1-benzofuran-2-carboxamide Traditional Name: 3,5,6-trimethyl-N-[(2R)-2-piperidin-1-ium-1-yl-2-(p-tolyl)ethyl]coumarilamide Formula: C26H33N2O2+ MolecularWeight: 405.55242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CNC(=O)C2=C(C3=CC(=C(C=C3O2)C)C)C)[NH+]4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](CNC(=O)C2=C(C3=CC(=C(C=C3O2)C)C)C)[NH+]4CCCCC4

InChI

InChI=1S/C26H32N2O2/c1-17-8-10-21(11-9-17)23(28-12-6-5-7-13-28)16-27-26(29)25-20(4)22-14-18(2)19(3)15-24(22)30-25/h8-11,14-15,23H,5-7,12-13,16H2,1-4H3,(H,27,29)/p+1/t23-/m0/s1