[4-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-4-ium-1-yl]-phenyl-methanone

Systemtic Name: [4-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-4-ium-1-yl]-phenyl-methanone Openeye Name: [4-[[2-(2,3-dimethoxyphenyl)thiazol-4-yl]methyl]piperazin-4-ium-1-yl]-phenyl-methanone CAS Name: [4-[[2-(2,3-dimethoxyphenyl)-4-thiazolyl]methyl]-1-piperazin-4-iumyl]-phenylmethanone IUPAC Name: [4-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-4-ium-1-yl]-phenylmethanone Traditional Name: [4-[[2-(2,3-dimethoxyphenyl)thiazol-4-yl]methyl]piperazin-4-ium-1-yl]-phenyl-methanone Formula: C23H26N3O3S+ MolecularWeight: 424.53584

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C2=NC(=CS2)C[NH+]3CCN(CC3)C(=O)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1OC)C2=NC(=CS2)C[NH+]3CCN(CC3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H25N3O3S/c1-28-20-10-6-9-19(21(20)29-2)22-24-18(16-30-22)15-25-11-13-26(14-12-25)23(27)17-7-4-3-5-8-17/h3-10,16H,11-15H2,1-2H3/p+1