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

Systemtic Name: 4-[[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]carbonyl]piperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-(4-methoxyphenyl)thiazole-4-carbonyl]piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[[2-(4-methoxyphenyl)-4-thiazolyl]-oxomethyl]-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-[2-(4-methoxyphenyl)-1,3-thiazole-4-carbonyl]piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-(4-methoxyphenyl)thiazole-4-carbonyl]piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C23H23N4O2S+ MolecularWeight: 419.51932

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=CS2)C(=O)N3CC[NH+](CC3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=CS2)C(=O)N3CC[NH+](CC3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C23H22N4O2S/c1-29-20-8-6-19(7-9-20)22-25-21(16-30-22)23(28)27-12-10-26(11-13-27)15-18-4-2-17(14-24)3-5-18/h2-9,16H,10-13,15H2,1H3/p+1