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

Systemtic Name: 4-[[4-[[2-(4-ethylphenyl)-1,3-thiazol-4-yl]carbonyl]piperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-(4-ethylphenyl)thiazole-4-carbonyl]piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[[2-(4-ethylphenyl)-4-thiazolyl]-oxomethyl]-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-[2-(4-ethylphenyl)-1,3-thiazole-4-carbonyl]piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-(4-ethylphenyl)thiazole-4-carbonyl]piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C24H25N4OS+ MolecularWeight: 417.5465

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=CS2)C(=O)N3CC[NH+](CC3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=CS2)C(=O)N3CC[NH+](CC3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C24H24N4OS/c1-2-18-7-9-21(10-8-18)23-26-22(17-30-23)24(29)28-13-11-27(12-14-28)16-20-5-3-19(15-25)4-6-20/h3-10,17H,2,11-14,16H2,1H3/p+1