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

Systemtic Name: 5-[1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-oxidanyl-piperidin-1-ium-4-yl]-N-(2-methoxyphenyl)-1-benzofuran-2-carboxamide Openeye Name: 5-[1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-hydroxy-piperidin-1-ium-4-yl]-N-(2-methoxyphenyl)benzofuran-2-carboxamide CAS Name: 5-[1-[(1,3-dimethyl-4-pyrazolyl)methyl]-4-hydroxy-4-piperidin-1-iumyl]-N-(2-methoxyphenyl)-2-benzofurancarboxamide IUPAC Name: 5-[1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-hydroxypiperidin-1-ium-4-yl]-N-(2-methoxyphenyl)-1-benzofuran-2-carboxamide Traditional Name: 5-[1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-hydroxy-piperidin-1-ium-4-yl]-N-(2-methoxyphenyl)coumarilamide Formula: C27H31N4O4+ MolecularWeight: 475.55944

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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)NC5=CC=CC=C5OC)O)C

Isomeric SMILES

CC1=NN(C=C1C[NH+]2CCC(CC2)(C3=CC4=C(C=C3)OC(=C4)C(=O)NC5=CC=CC=C5OC)O)C

InChI

InChI=1S/C27H30N4O4/c1-18-20(16-30(2)29-18)17-31-12-10-27(33,11-13-31)21-8-9-23-19(14-21)15-25(35-23)26(32)28-22-6-4-5-7-24(22)34-3/h4-9,14-16,33H,10-13,17H2,1-3H3,(H,28,32)/p+1