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

Systemtic Name: 6-bromanyl-3-methyl-N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ium-1-yl-ethyl]-1-benzofuran-2-carboxamide Openeye Name: 6-bromo-3-methyl-N-[(2R)-2-piperidin-1-ium-1-yl-2-(p-tolyl)ethyl]benzofuran-2-carboxamide CAS Name: 6-bromo-3-methyl-N-[(2R)-2-(4-methylphenyl)-2-(1-piperidin-1-iumyl)ethyl]-2-benzofurancarboxamide IUPAC Name: 6-bromo-3-methyl-N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ium-1-ylethyl]-1-benzofuran-2-carboxamide Traditional Name: 6-bromo-3-methyl-N-[(2R)-2-piperidin-1-ium-1-yl-2-(p-tolyl)ethyl]coumarilamide Formula: C24H28BrN2O2+ MolecularWeight: 456.39532

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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)Br)C)[NH+]4CCCCC4

Isomeric SMILES

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

InChI

InChI=1S/C24H27BrN2O2/c1-16-6-8-18(9-7-16)21(27-12-4-3-5-13-27)15-26-24(28)23-17(2)20-11-10-19(25)14-22(20)29-23/h6-11,14,21H,3-5,12-13,15H2,1-2H3,(H,26,28)/p+1/t21-/m0/s1