N-[1-[(4-methoxyphenyl)methyl]-1-methyl-piperidin-1-ium-4-yl]-1-benzofuran-2-carboxamide iodide

Systemtic Name: N-[1-[(4-methoxyphenyl)methyl]-1-methyl-piperidin-1-ium-4-yl]-1-benzofuran-2-carboxamide iodide Openeye Name: N-[1-[(4-methoxyphenyl)methyl]-1-methyl-piperidin-1-ium-4-yl]benzofuran-2-carboxamide iodide CAS Name: N-[1-[(4-methoxyphenyl)methyl]-1-methyl-4-piperidin-1-iumyl]-2-benzofurancarboxamide iodide IUPAC Name: N-[1-[(4-methoxyphenyl)methyl]-1-methylpiperidin-1-ium-4-yl]-1-benzofuran-2-carboxamide iodide Traditional Name: N-(1-methyl-1-p-anisyl-piperidin-1-ium-4-yl)coumarilamide iodide Formula: C23H27IN2O3 MolecularWeight: 506.37655

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(CC1)NC(=O)C2=CC3=CC=CC=C3O2)CC4=CC=C(C=C4)OC.[I-]

Isomeric SMILES

C[N+]1(CCC(CC1)NC(=O)C2=CC3=CC=CC=C3O2)CC4=CC=C(C=C4)OC.[I-]

InChI

InChI=1S/C23H26N2O3.HI/c1-25(16-17-7-9-20(27-2)10-8-17)13-11-19(12-14-25)24-23(26)22-15-18-5-3-4-6-21(18)28-22;/h3-10,15,19H,11-14,16H2,1-2H3;1H