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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-5-[1-[(2,4-dimethylphenyl)methyl]-4-oxidanyl-piperidin-1-ium-4-yl]-1-benzofuran-2-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-5-[1-[(2,4-dimethylphenyl)methyl]-4-hydroxy-piperidin-1-ium-4-yl]benzofuran-2-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-5-[1-[(2,4-dimethylphenyl)methyl]-4-hydroxy-4-piperidin-1-iumyl]-2-benzofurancarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-5-[1-[(2,4-dimethylphenyl)methyl]-4-hydroxypiperidin-1-ium-4-yl]-1-benzofuran-2-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-5-[1-(2,4-dimethylbenzyl)-4-hydroxy-piperidin-1-ium-4-yl]coumarilamide Formula: C30H31N2O5+ MolecularWeight: 499.57754

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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)NC5=CC6=C(C=C5)OCO6)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C[NH+]2CCC(CC2)(C3=CC4=C(C=C3)OC(=C4)C(=O)NC5=CC6=C(C=C5)OCO6)O)C

InChI

InChI=1S/C30H30N2O5/c1-19-3-4-21(20(2)13-19)17-32-11-9-30(34,10-12-32)23-5-7-25-22(14-23)15-28(37-25)29(33)31-24-6-8-26-27(16-24)36-18-35-26/h3-8,13-16,34H,9-12,17-18H2,1-2H3,(H,31,33)/p+1