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

Systemtic Name: 5-[1-(2-ethylbutyl)-4-oxidanyl-piperidin-1-ium-4-yl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1-benzofuran-2-carboxamide Openeye Name: 5-[1-(2-ethylbutyl)-4-hydroxy-piperidin-1-ium-4-yl]-N-methyl-N-(thiazol-4-ylmethyl)benzofuran-2-carboxamide CAS Name: 5-[1-(2-ethylbutyl)-4-hydroxy-4-piperidin-1-iumyl]-N-methyl-N-(4-thiazolylmethyl)-2-benzofurancarboxamide IUPAC Name: 5-[1-(2-ethylbutyl)-4-hydroxypiperidin-1-ium-4-yl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1-benzofuran-2-carboxamide Traditional Name: 5-[1-(2-ethylbutyl)-4-hydroxy-piperidin-1-ium-4-yl]-N-methyl-N-(thiazol-4-ylmethyl)coumarilamide Formula: C25H34N3O3S+ MolecularWeight: 456.62076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33N3O3S/c1-4-18(5-2)14-28-10-8-25(30,9-11-28)20-6-7-22-19(12-20)13-23(31-22)24(29)27(3)15-21-16-32-17-26-21/h6-7,12-13,16-18,30H,4-5,8-11,14-15H2,1-3H3/p+1