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

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-5-[1-(furan-2-ylmethyl)-4-oxidanyl-piperidin-1-ium-4-yl]-1-benzofuran-2-carboxamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-5-[1-(2-furylmethyl)-4-hydroxy-piperidin-1-ium-4-yl]benzofuran-2-carboxamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-5-[1-(2-furanylmethyl)-4-hydroxy-4-piperidin-1-iumyl]-2-benzofurancarboxamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-5-[1-(furan-2-ylmethyl)-4-hydroxypiperidin-1-ium-4-yl]-1-benzofuran-2-carboxamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-5-[1-(2-furfuryl)-4-hydroxy-piperidin-1-ium-4-yl]coumarilamide Formula: C27H26N3O4S+ MolecularWeight: 488.57804

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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=CO6

Isomeric SMILES

C1C[NH+](CCC1(C2=CC3=C(C=C2)OC(=C3)C(=O)NCC4=NC5=CC=CC=C5S4)O)CC6=CC=CO6

InChI

InChI=1S/C27H25N3O4S/c31-26(28-16-25-29-21-5-1-2-6-24(21)35-25)23-15-18-14-19(7-8-22(18)34-23)27(32)9-11-30(12-10-27)17-20-4-3-13-33-20/h1-8,13-15,32H,9-12,16-17H2,(H,28,31)/p+1