N-methyl-5-[4-oxidanyl-1-(thiophen-3-ylmethyl)piperidin-1-ium-4-yl]-N-(2-pyridin-2-ylethyl)-1-benzofuran-2-carboxamide

Systemtic Name: N-methyl-5-[4-oxidanyl-1-(thiophen-3-ylmethyl)piperidin-1-ium-4-yl]-N-(2-pyridin-2-ylethyl)-1-benzofuran-2-carboxamide Openeye Name: 5-[4-hydroxy-1-(3-thienylmethyl)piperidin-1-ium-4-yl]-N-methyl-N-[2-(2-pyridyl)ethyl]benzofuran-2-carboxamide CAS Name: 5-[4-hydroxy-1-(3-thiophenylmethyl)-4-piperidin-1-iumyl]-N-methyl-N-[2-(2-pyridinyl)ethyl]-2-benzofurancarboxamide IUPAC Name: 5-[4-hydroxy-1-(thiophen-3-ylmethyl)piperidin-1-ium-4-yl]-N-methyl-N-(2-pyridin-2-ylethyl)-1-benzofuran-2-carboxamide Traditional Name: 5-[4-hydroxy-1-(3-thenyl)piperidin-1-ium-4-yl]-N-methyl-N-[2-(2-pyridyl)ethyl]coumarilamide Formula: C27H30N3O3S+ MolecularWeight: 476.6104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=CC=N1)C(=O)C2=CC3=C(O2)C=CC(=C3)C4(CC[NH+](CC4)CC5=CSC=C5)O

Isomeric SMILES

CN(CCC1=CC=CC=N1)C(=O)C2=CC3=C(O2)C=CC(=C3)C4(CC[NH+](CC4)CC5=CSC=C5)O

InChI

InChI=1S/C27H29N3O3S/c1-29(12-7-23-4-2-3-11-28-23)26(31)25-17-21-16-22(5-6-24(21)33-25)27(32)9-13-30(14-10-27)18-20-8-15-34-19-20/h2-6,8,11,15-17,19,32H,7,9-10,12-14,18H2,1H3/p+1