N-[4,5-dimethoxy-2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]carbonyl-phenyl]furan-2-carboxamide

Systemtic Name: N-[4,5-dimethoxy-2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]carbonyl-phenyl]furan-2-carboxamide Openeye Name: N-[4,5-dimethoxy-2-[4-(4-pyridylmethyl)piperazin-4-ium-1-carbonyl]phenyl]furan-2-carboxamide CAS Name: N-[4,5-dimethoxy-2-[oxo-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]methyl]phenyl]-2-furancarboxamide IUPAC Name: N-[4,5-dimethoxy-2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]furan-2-carboxamide Traditional Name: N-[4,5-dimethoxy-2-[4-(4-pyridylmethyl)piperazin-4-ium-1-carbonyl]phenyl]-2-furamide Formula: C24H27N4O5+ MolecularWeight: 451.49498

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)N2CC[NH+](CC2)CC3=CC=NC=C3)NC(=O)C4=CC=CO4)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)N2CC[NH+](CC2)CC3=CC=NC=C3)NC(=O)C4=CC=CO4)OC

InChI

InChI=1S/C24H26N4O5/c1-31-21-14-18(19(15-22(21)32-2)26-23(29)20-4-3-13-33-20)24(30)28-11-9-27(10-12-28)16-17-5-7-25-8-6-17/h3-8,13-15H,9-12,16H2,1-2H3,(H,26,29)/p+1