2-[3-cyano-4-(4-methoxyphenyl)-6-methyl-pyridin-1-ium-2-yl]sulfanyl-N-quinolin-8-yl-ethanamide

Systemtic Name: 2-[3-cyano-4-(4-methoxyphenyl)-6-methyl-pyridin-1-ium-2-yl]sulfanyl-N-quinolin-8-yl-ethanamide Openeye Name: 2-[3-cyano-4-(4-methoxyphenyl)-6-methyl-pyridin-1-ium-2-yl]sulfanyl-N-(8-quinolyl)acetamide CAS Name: 2-[[3-cyano-4-(4-methoxyphenyl)-6-methyl-2-pyridin-1-iumyl]thio]-N-(8-quinolinyl)acetamide IUPAC Name: 2-[3-cyano-4-(4-methoxyphenyl)-6-methylpyridin-1-ium-2-yl]sulfanyl-N-quinolin-8-ylacetamide Traditional Name: 2-[[3-cyano-4-(4-methoxyphenyl)-6-methyl-pyridin-1-ium-2-yl]thio]-N-(8-quinolyl)acetamide Formula: C25H21N4O2S+ MolecularWeight: 441.52484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C(=C(C(=C1)C2=CC=C(C=C2)OC)C#N)SCC(=O)NC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CC1=[NH+]C(=C(C(=C1)C2=CC=C(C=C2)OC)C#N)SCC(=O)NC3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C25H20N4O2S/c1-16-13-20(17-8-10-19(31-2)11-9-17)21(14-26)25(28-16)32-15-23(30)29-22-7-3-5-18-6-4-12-27-24(18)22/h3-13H,15H2,1-2H3,(H,29,30)/p+1