N-(1,3-benzothiazol-2-ylmethyl)-5-[4-oxidanyl-1-(phenylmethyl)piperidin-1-ium-4-yl]-1-benzofuran-2-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-5-[4-oxidanyl-1-(phenylmethyl)piperidin-1-ium-4-yl]-1-benzofuran-2-carboxamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-5-(1-benzyl-4-hydroxy-piperidin-1-ium-4-yl)benzofuran-2-carboxamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-5-[4-hydroxy-1-(phenylmethyl)-4-piperidin-1-iumyl]-2-benzofurancarboxamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-5-(1-benzyl-4-hydroxypiperidin-1-ium-4-yl)-1-benzofuran-2-carboxamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-5-(1-benzyl-4-hydroxy-piperidin-1-ium-4-yl)coumarilamide Formula: C29H28N3O3S+ MolecularWeight: 498.61592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1(C2=CC3=C(C=C2)OC(=C3)C(=O)NCC4=NC5=CC=CC=C5S4)O)CC6=CC=CC=C6

Isomeric SMILES

C1C[NH+](CCC1(C2=CC3=C(C=C2)OC(=C3)C(=O)NCC4=NC5=CC=CC=C5S4)O)CC6=CC=CC=C6

InChI

InChI=1S/C29H27N3O3S/c33-28(30-18-27-31-23-8-4-5-9-26(23)36-27)25-17-21-16-22(10-11-24(21)35-25)29(34)12-14-32(15-13-29)19-20-6-2-1-3-7-20/h1-11,16-17,34H,12-15,18-19H2,(H,30,33)/p+1