1-[[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-4,6-dimethyl-2-sulfanylidene-pyridine-3-carboxamide

Systemtic Name: 1-[[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-4,6-dimethyl-2-sulfanylidene-pyridine-3-carboxamide Openeye Name: 1-[[4-[(5-fluoro-2-methoxy-phenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-4,6-dimethyl-2-thioxo-pyridine-3-carboxamide CAS Name: 1-[[4-[(5-fluoro-2-methoxyphenyl)methyl]-1-piperazine-1,4-diiumyl]methyl]-4,6-dimethyl-2-sulfanylidene-3-pyridinecarboxamide IUPAC Name: 1-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-4,6-dimethyl-2-sulfanylidenepyridine-3-carboxamide Traditional Name: 1-[[4-(5-fluoro-2-methoxy-benzyl)piperazine-1,4-diium-1-yl]methyl]-4,6-dimethyl-2-thioxo-nicotinamide Formula: C21H29FN4O2S+2 MolecularWeight: 420.543963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=S)N1C[NH+]2CC[NH+](CC2)CC3=C(C=CC(=C3)F)OC)C(=O)N)C

Isomeric SMILES

CC1=CC(=C(C(=S)N1C[NH+]2CC[NH+](CC2)CC3=C(C=CC(=C3)F)OC)C(=O)N)C

InChI

InChI=1S/C21H27FN4O2S/c1-14-10-15(2)26(21(29)19(14)20(23)27)13-25-8-6-24(7-9-25)12-16-11-17(22)4-5-18(16)28-3/h4-5,10-11H,6-9,12-13H2,1-3H3,(H2,23,27)/p+2