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

Systemtic Name: 5-[1-[(2,4-dimethylphenyl)methyl]-4-oxidanyl-piperidin-1-ium-4-yl]-N-methyl-N-(2-pyridin-2-ylethyl)-1-benzofuran-2-carboxamide Openeye Name: 5-[1-[(2,4-dimethylphenyl)methyl]-4-hydroxy-piperidin-1-ium-4-yl]-N-methyl-N-[2-(2-pyridyl)ethyl]benzofuran-2-carboxamide CAS Name: 5-[1-[(2,4-dimethylphenyl)methyl]-4-hydroxy-4-piperidin-1-iumyl]-N-methyl-N-[2-(2-pyridinyl)ethyl]-2-benzofurancarboxamide IUPAC Name: 5-[1-[(2,4-dimethylphenyl)methyl]-4-hydroxypiperidin-1-ium-4-yl]-N-methyl-N-(2-pyridin-2-ylethyl)-1-benzofuran-2-carboxamide Traditional Name: 5-[1-(2,4-dimethylbenzyl)-4-hydroxy-piperidin-1-ium-4-yl]-N-methyl-N-[2-(2-pyridyl)ethyl]coumarilamide Formula: C31H36N3O3+ MolecularWeight: 498.63584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C[NH+]2CCC(CC2)(C3=CC4=C(C=C3)OC(=C4)C(=O)N(C)CCC5=CC=CC=N5)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C[NH+]2CCC(CC2)(C3=CC4=C(C=C3)OC(=C4)C(=O)N(C)CCC5=CC=CC=N5)O)C

InChI

InChI=1S/C31H35N3O3/c1-22-7-8-24(23(2)18-22)21-34-16-12-31(36,13-17-34)26-9-10-28-25(19-26)20-29(37-28)30(35)33(3)15-11-27-6-4-5-14-32-27/h4-10,14,18-20,36H,11-13,15-17,21H2,1-3H3/p+1