5-[1-(2,2-dimethylpropyl)-4-oxidanyl-piperidin-1-ium-4-yl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1-benzofuran-2-carboxamide

Systemtic Name: 5-[1-(2,2-dimethylpropyl)-4-oxidanyl-piperidin-1-ium-4-yl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1-benzofuran-2-carboxamide Openeye Name: 5-[1-(2,2-dimethylpropyl)-4-hydroxy-piperidin-1-ium-4-yl]-N-methyl-N-(thiazol-4-ylmethyl)benzofuran-2-carboxamide CAS Name: 5-[1-(2,2-dimethylpropyl)-4-hydroxy-4-piperidin-1-iumyl]-N-methyl-N-(4-thiazolylmethyl)-2-benzofurancarboxamide IUPAC Name: 5-[1-(2,2-dimethylpropyl)-4-hydroxypiperidin-1-ium-4-yl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1-benzofuran-2-carboxamide Traditional Name: 5-(4-hydroxy-1-neopentyl-piperidin-1-ium-4-yl)-N-methyl-N-(thiazol-4-ylmethyl)coumarilamide Formula: C24H32N3O3S+ MolecularWeight: 442.59418

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C[NH+]1CCC(CC1)(C2=CC3=C(C=C2)OC(=C3)C(=O)N(C)CC4=CSC=N4)O

Isomeric SMILES

CC(C)(C)C[NH+]1CCC(CC1)(C2=CC3=C(C=C2)OC(=C3)C(=O)N(C)CC4=CSC=N4)O

InChI

InChI=1S/C24H31N3O3S/c1-23(2,3)15-27-9-7-24(29,8-10-27)18-5-6-20-17(11-18)12-21(30-20)22(28)26(4)13-19-14-31-16-25-19/h5-6,11-12,14,16,29H,7-10,13,15H2,1-4H3/p+1