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

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-5-(1-cyclopentyl-4-oxidanyl-piperidin-1-ium-4-yl)-1-benzofuran-2-carboxamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-5-(1-cyclopentyl-4-hydroxy-piperidin-1-ium-4-yl)benzofuran-2-carboxamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-5-(1-cyclopentyl-4-hydroxy-4-piperidin-1-iumyl)-2-benzofurancarboxamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-5-(1-cyclopentyl-4-hydroxypiperidin-1-ium-4-yl)-1-benzofuran-2-carboxamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-5-(1-cyclopentyl-4-hydroxy-piperidin-1-ium-4-yl)coumarilamide Formula: C27H30N3O3S+ MolecularWeight: 476.6104

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+]2CCC(CC2)(C3=CC4=C(C=C3)OC(=C4)C(=O)NCC5=NC6=CC=CC=C6S5)O

Isomeric SMILES

C1CCC(C1)[NH+]2CCC(CC2)(C3=CC4=C(C=C3)OC(=C4)C(=O)NCC5=NC6=CC=CC=C6S5)O

InChI

InChI=1S/C27H29N3O3S/c31-26(28-17-25-29-21-7-3-4-8-24(21)34-25)23-16-18-15-19(9-10-22(18)33-23)27(32)11-13-30(14-12-27)20-5-1-2-6-20/h3-4,7-10,15-16,20,32H,1-2,5-6,11-14,17H2,(H,28,31)/p+1