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

Systemtic Name: 3,6-dimethyl-N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ium-1-yl-ethyl]-1-benzofuran-2-carboxamide Openeye Name: 3,6-dimethyl-N-[(2R)-2-piperidin-1-ium-1-yl-2-(p-tolyl)ethyl]benzofuran-2-carboxamide CAS Name: 3,6-dimethyl-N-[(2R)-2-(4-methylphenyl)-2-(1-piperidin-1-iumyl)ethyl]-2-benzofurancarboxamide IUPAC Name: 3,6-dimethyl-N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ium-1-ylethyl]-1-benzofuran-2-carboxamide Traditional Name: 3,6-dimethyl-N-[(2R)-2-piperidin-1-ium-1-yl-2-(p-tolyl)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(O2)C=C(C=C3)C)C)[NH+]4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](CNC(=O)C2=C(C3=C(O2)C=C(C=C3)C)C)[NH+]4CCCCC4

InChI

InChI=1S/C25H30N2O2/c1-17-7-10-20(11-8-17)22(27-13-5-4-6-14-27)16-26-25(28)24-19(3)21-12-9-18(2)15-23(21)29-24/h7-12,15,22H,4-6,13-14,16H2,1-3H3,(H,26,28)/p+1/t22-/m0/s1