N-[4,5-dimethoxy-2-[[4-(piperidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]carbamoyl]phenyl]furan-2-carboxamide

Systemtic Name: N-[4,5-dimethoxy-2-[[4-(piperidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]carbamoyl]phenyl]furan-2-carboxamide Openeye Name: N-[4,5-dimethoxy-2-[[4-(piperidin-1-ium-1-ylmethyl)thiazol-2-yl]carbamoyl]phenyl]furan-2-carboxamide CAS Name: N-[4,5-dimethoxy-2-[oxo-[[4-(1-piperidin-1-iumylmethyl)-2-thiazolyl]amino]methyl]phenyl]-2-furancarboxamide IUPAC Name: N-[4,5-dimethoxy-2-[[4-(piperidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]carbamoyl]phenyl]furan-2-carboxamide Traditional Name: N-[4,5-dimethoxy-2-[[4-(piperidin-1-ium-1-ylmethyl)thiazol-2-yl]carbamoyl]phenyl]-2-furamide Formula: C23H27N4O5S+ MolecularWeight: 471.54928

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)NC2=NC(=CS2)C[NH+]3CCCCC3)NC(=O)C4=CC=CO4)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)NC2=NC(=CS2)C[NH+]3CCCCC3)NC(=O)C4=CC=CO4)OC

InChI

InChI=1S/C23H26N4O5S/c1-30-19-11-16(17(12-20(19)31-2)25-22(29)18-7-6-10-32-18)21(28)26-23-24-15(14-33-23)13-27-8-4-3-5-9-27/h6-7,10-12,14H,3-5,8-9,13H2,1-2H3,(H,25,29)(H,24,26,28)/p+1