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

Systemtic Name: 4-[[4-[[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]carbonyl]piperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-(4-ethylphenyl)-4-methyl-thiazole-5-carbonyl]piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[[2-(4-ethylphenyl)-4-methyl-5-thiazolyl]-oxomethyl]-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-[2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-(4-ethylphenyl)-4-methyl-thiazole-5-carbonyl]piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C25H27N4OS+ MolecularWeight: 431.57308

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=C(S2)C(=O)N3CC[NH+](CC3)CC4=CC=C(C=C4)C#N)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=C(S2)C(=O)N3CC[NH+](CC3)CC4=CC=C(C=C4)C#N)C

InChI

InChI=1S/C25H26N4OS/c1-3-19-8-10-22(11-9-19)24-27-18(2)23(31-24)25(30)29-14-12-28(13-15-29)17-21-6-4-20(16-26)5-7-21/h4-11H,3,12-15,17H2,1-2H3/p+1