4-[[4-[(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)carbonyl]piperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)carbonyl]piperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[4-methyl-2-(2-pyridyl)thiazole-5-carbonyl]piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[[4-methyl-2-(2-pyridinyl)-5-thiazolyl]-oxomethyl]-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-(4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbonyl)piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[4-methyl-2-(2-pyridyl)thiazole-5-carbonyl]piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C22H22N5OS+ MolecularWeight: 404.50798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC=CC=N2)C(=O)N3CC[NH+](CC3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

CC1=C(SC(=N1)C2=CC=CC=N2)C(=O)N3CC[NH+](CC3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C22H21N5OS/c1-16-20(29-21(25-16)19-4-2-3-9-24-19)22(28)27-12-10-26(11-13-27)15-18-7-5-17(14-23)6-8-18/h2-9H,10-13,15H2,1H3/p+1