(3R)-4,4-dimethyl-2-oxidanylidene-6-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]sulfanyl-1,3-dihydropyridine-3,5-dicarbonitrile

Systemtic Name: (3R)-4,4-dimethyl-2-oxidanylidene-6-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]sulfanyl-1,3-dihydropyridine-3,5-dicarbonitrile Openeye Name: (3R)-4,4-dimethyl-2-oxo-6-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]sulfanyl-1,3-dihydropyridine-3,5-dicarbonitrile CAS Name: (3R)-4,4-dimethyl-2-oxo-6-[[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]thio]-1,3-dihydropyridine-3,5-dicarbonitrile IUPAC Name: (3R)-4,4-dimethyl-2-oxo-6-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]sulfanyl-1,3-dihydropyridine-3,5-dicarbonitrile Traditional Name: (3R)-2-keto-6-[[2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]thio]-4,4-dimethyl-1,3-dihydropyridine-3,5-dicarbonitrile Formula: C20H23N6O2S+ MolecularWeight: 411.50062

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(=O)NC(=C1C#N)SCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)C#N)C

Isomeric SMILES

CC1([C@@H](C(=O)NC(=C1C#N)SCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)C#N)C

InChI

InChI=1S/C20H22N6O2S/c1-20(2)14(11-21)18(28)24-19(15(20)12-22)29-13-17(27)26-9-7-25(8-10-26)16-5-3-4-6-23-16/h3-6,14H,7-10,13H2,1-2H3,(H,24,28)/p+1/t14-/m1/s1