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

Systemtic Name: 4-[[4-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-4-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[[2-(2-methoxyphenyl)thiazol-4-yl]methyl]piperazin-4-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[[2-(2-methoxyphenyl)-4-thiazolyl]methyl]-1-piperazin-4-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-4-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[[2-(2-methoxyphenyl)thiazol-4-yl]methyl]piperazin-4-ium-1-yl]methyl]benzonitrile Formula: C23H25N4OS+ MolecularWeight: 405.5358

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NC(=CS2)C[NH+]3CCN(CC3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

COC1=CC=CC=C1C2=NC(=CS2)C[NH+]3CCN(CC3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C23H24N4OS/c1-28-22-5-3-2-4-21(22)23-25-20(17-29-23)16-27-12-10-26(11-13-27)15-19-8-6-18(14-24)7-9-19/h2-9,17H,10-13,15-16H2,1H3/p+1