4,5,6-trimethyl-2-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]sulfanyl-pyridine-3-carbonitrile

Systemtic Name: 4,5,6-trimethyl-2-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]sulfanyl-pyridine-3-carbonitrile Openeye Name: 4,5,6-trimethyl-2-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]sulfanyl-pyridine-3-carbonitrile CAS Name: 4,5,6-trimethyl-2-[[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]thio]-3-pyridinecarbonitrile IUPAC Name: 4,5,6-trimethyl-2-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]sulfanylpyridine-3-carbonitrile Traditional Name: 2-[[2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]thio]-4,5,6-trimethyl-nicotinonitrile Formula: C20H24N5OS+ MolecularWeight: 382.50246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N5OS/c1-14-15(2)17(12-21)20(23-16(14)3)27-13-19(26)25-10-8-24(9-11-25)18-6-4-5-7-22-18/h4-7H,8-11,13H2,1-3H3/p+1