N-(furan-2-ylmethyl)-2-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonylphenyl]sulfanyl-ethanamide

Systemtic Name: N-(furan-2-ylmethyl)-2-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonylphenyl]sulfanyl-ethanamide Openeye Name: N-(2-furylmethyl)-2-[2-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)phenyl]sulfanyl-acetamide CAS Name: N-(2-furanylmethyl)-2-[[2-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]phenyl]thio]acetamide IUPAC Name: N-(furan-2-ylmethyl)-2-[2-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)phenyl]sulfanylacetamide Traditional Name: N-(2-furfuryl)-2-[[2-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)phenyl]thio]acetamide Formula: C23H25N4O3S+ MolecularWeight: 437.5346

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC=CC=C3SCC(=O)NCC4=CC=CO4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC=CC=C3SCC(=O)NCC4=CC=CO4

InChI

InChI=1S/C23H24N4O3S/c28-22(25-16-18-6-5-15-30-18)17-31-20-8-2-1-7-19(20)23(29)27-13-11-26(12-14-27)21-9-3-4-10-24-21/h1-10,15H,11-14,16-17H2,(H,25,28)/p+1