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

Systemtic Name: 3-[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-4-ium-1-yl]carbonylbenzenecarbonitrile Openeye Name: 3-[4-[[2-(4-methoxyphenyl)thiazol-4-yl]methyl]piperazin-4-ium-1-carbonyl]benzonitrile CAS Name: 3-[[4-[[2-(4-methoxyphenyl)-4-thiazolyl]methyl]-1-piperazin-4-iumyl]-oxomethyl]benzonitrile IUPAC Name: 3-[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-4-ium-1-carbonyl]benzonitrile Traditional Name: 3-[4-[[2-(4-methoxyphenyl)thiazol-4-yl]methyl]piperazin-4-ium-1-carbonyl]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[NH+]3CCN(CC3)C(=O)C4=CC=CC(=C4)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=CS2)C[NH+]3CCN(CC3)C(=O)C4=CC=CC(=C4)C#N

InChI

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