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

Systemtic Name: 2-(1-methylimidazol-2-yl)sulfanyl-N-[4-(4-pyridin-1-ium-4-ylpiperazin-1-yl)carbonylphenyl]ethanamide Openeye Name: 2-(1-methylimidazol-2-yl)sulfanyl-N-[4-(4-pyridin-1-ium-4-ylpiperazine-1-carbonyl)phenyl]acetamide CAS Name: 2-[(1-methyl-2-imidazolyl)thio]-N-[4-[oxo-[4-(4-pyridin-1-iumyl)-1-piperazinyl]methyl]phenyl]acetamide IUPAC Name: 2-(1-methylimidazol-2-yl)sulfanyl-N-[4-(4-pyridin-1-ium-4-ylpiperazine-1-carbonyl)phenyl]acetamide Traditional Name: 2-[(1-methylimidazol-2-yl)thio]-N-[4-(4-pyridin-1-ium-4-ylpiperazine-1-carbonyl)phenyl]acetamide Formula: C22H25N6O2S+ MolecularWeight: 437.5379

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=[NH+]C=C4

Isomeric SMILES

CN1C=CN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=[NH+]C=C4

InChI

InChI=1S/C22H24N6O2S/c1-26-11-10-24-22(26)31-16-20(29)25-18-4-2-17(3-5-18)21(30)28-14-12-27(13-15-28)19-6-8-23-9-7-19/h2-11H,12-16H2,1H3,(H,25,29)/p+1