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

Systemtic Name: 5-[1-[(2,4-dimethylphenyl)methyl]-4-oxidanyl-piperidin-1-ium-4-yl]-N-(2-methylpropyl)-1-benzofuran-2-carboxamide Openeye Name: 5-[1-[(2,4-dimethylphenyl)methyl]-4-hydroxy-piperidin-1-ium-4-yl]-N-isobutyl-benzofuran-2-carboxamide CAS Name: 5-[1-[(2,4-dimethylphenyl)methyl]-4-hydroxy-4-piperidin-1-iumyl]-N-(2-methylpropyl)-2-benzofurancarboxamide IUPAC Name: 5-[1-[(2,4-dimethylphenyl)methyl]-4-hydroxypiperidin-1-ium-4-yl]-N-(2-methylpropyl)-1-benzofuran-2-carboxamide Traditional Name: 5-[1-(2,4-dimethylbenzyl)-4-hydroxy-piperidin-1-ium-4-yl]-N-isobutyl-coumarilamide Formula: C27H35N2O3+ MolecularWeight: 435.5784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C[NH+]2CCC(CC2)(C3=CC4=C(C=C3)OC(=C4)C(=O)NCC(C)C)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C[NH+]2CCC(CC2)(C3=CC4=C(C=C3)OC(=C4)C(=O)NCC(C)C)O)C

InChI

InChI=1S/C27H34N2O3/c1-18(2)16-28-26(30)25-15-22-14-23(7-8-24(22)32-25)27(31)9-11-29(12-10-27)17-21-6-5-19(3)13-20(21)4/h5-8,13-15,18,31H,9-12,16-17H2,1-4H3,(H,28,30)/p+1