N-cyclopentyl-5-[4-oxidanyl-1-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]piperidin-1-ium-4-yl]-1-benzofuran-2-carboxamide

Systemtic Name: N-cyclopentyl-5-[4-oxidanyl-1-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]piperidin-1-ium-4-yl]-1-benzofuran-2-carboxamide Openeye Name: N-cyclopentyl-5-[4-hydroxy-1-[(1-thiazol-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-4-yl]benzofuran-2-carboxamide CAS Name: N-cyclopentyl-5-[4-hydroxy-1-[[1-(2-thiazolyl)-2-pyrrolyl]methyl]-4-piperidin-1-iumyl]-2-benzofurancarboxamide IUPAC Name: N-cyclopentyl-5-[4-hydroxy-1-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]piperidin-1-ium-4-yl]-1-benzofuran-2-carboxamide Traditional Name: N-cyclopentyl-5-[4-hydroxy-1-[(1-thiazol-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-4-yl]coumarilamide Formula: C27H31N4O3S+ MolecularWeight: 491.62504

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)C2=CC3=C(O2)C=CC(=C3)C4(CC[NH+](CC4)CC5=CC=CN5C6=NC=CS6)O

Isomeric SMILES

C1CCC(C1)NC(=O)C2=CC3=C(O2)C=CC(=C3)C4(CC[NH+](CC4)CC5=CC=CN5C6=NC=CS6)O

InChI

InChI=1S/C27H30N4O3S/c32-25(29-21-4-1-2-5-21)24-17-19-16-20(7-8-23(19)34-24)27(33)9-13-30(14-10-27)18-22-6-3-12-31(22)26-28-11-15-35-26/h3,6-8,11-12,15-17,21,33H,1-2,4-5,9-10,13-14,18H2,(H,29,32)/p+1