N-[4,5-dimethyl-3-[(4-pyridin-2-ylpiperazin-1-ium-1-yl)methyl]thiophen-2-yl]furan-2-carboxamide

Systemtic Name: N-[4,5-dimethyl-3-[(4-pyridin-2-ylpiperazin-1-ium-1-yl)methyl]thiophen-2-yl]furan-2-carboxamide Openeye Name: N-[4,5-dimethyl-3-[[4-(2-pyridyl)piperazin-1-ium-1-yl]methyl]-2-thienyl]furan-2-carboxamide CAS Name: N-[4,5-dimethyl-3-[[4-(2-pyridinyl)-1-piperazin-1-iumyl]methyl]-2-thiophenyl]-2-furancarboxamide IUPAC Name: N-[4,5-dimethyl-3-[(4-pyridin-2-ylpiperazin-1-ium-1-yl)methyl]thiophen-2-yl]furan-2-carboxamide Traditional Name: N-[4,5-dimethyl-3-[[4-(2-pyridyl)piperazin-1-ium-1-yl]methyl]-2-thienyl]-2-furamide Formula: C21H25N4O2S+ MolecularWeight: 397.5138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C[NH+]2CCN(CC2)C3=CC=CC=N3)NC(=O)C4=CC=CO4)C

Isomeric SMILES

CC1=C(SC(=C1C[NH+]2CCN(CC2)C3=CC=CC=N3)NC(=O)C4=CC=CO4)C

InChI

InChI=1S/C21H24N4O2S/c1-15-16(2)28-21(23-20(26)18-6-5-13-27-18)17(15)14-24-9-11-25(12-10-24)19-7-3-4-8-22-19/h3-8,13H,9-12,14H2,1-2H3,(H,23,26)/p+1