5-[1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-oxidanyl-piperidin-1-ium-4-yl]-N-(2-methylpropyl)-1-benzofuran-2-carboxamide

Systemtic Name: 5-[1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-oxidanyl-piperidin-1-ium-4-yl]-N-(2-methylpropyl)-1-benzofuran-2-carboxamide Openeye Name: 5-[1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-hydroxy-piperidin-1-ium-4-yl]-N-isobutyl-benzofuran-2-carboxamide CAS Name: 5-[1-[(1,3-dimethyl-4-pyrazolyl)methyl]-4-hydroxy-4-piperidin-1-iumyl]-N-(2-methylpropyl)-2-benzofurancarboxamide IUPAC Name: 5-[1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-hydroxypiperidin-1-ium-4-yl]-N-(2-methylpropyl)-1-benzofuran-2-carboxamide Traditional Name: 5-[1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-hydroxy-piperidin-1-ium-4-yl]-N-isobutyl-coumarilamide Formula: C24H33N4O3+ MolecularWeight: 425.54382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C[NH+]2CCC(CC2)(C3=CC4=C(C=C3)OC(=C4)C(=O)NCC(C)C)O)C

Isomeric SMILES

CC1=NN(C=C1C[NH+]2CCC(CC2)(C3=CC4=C(C=C3)OC(=C4)C(=O)NCC(C)C)O)C

InChI

InChI=1S/C24H32N4O3/c1-16(2)13-25-23(29)22-12-18-11-20(5-6-21(18)31-22)24(30)7-9-28(10-8-24)15-19-14-27(4)26-17(19)3/h5-6,11-12,14,16,30H,7-10,13,15H2,1-4H3,(H,25,29)/p+1