2-(3,4-dimethoxyphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-thiazole

Systemtic Name: 2-(3,4-dimethoxyphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-thiazole Openeye Name: 2-(3,4-dimethoxyphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]thiazole CAS Name: 2-(3,4-dimethoxyphenyl)-4-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]thiazole IUPAC Name: 2-(3,4-dimethoxyphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-thiazole Traditional Name: 2-(3,4-dimethoxyphenyl)-4-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]thiazole Formula: C20H24N5O2S+ MolecularWeight: 398.50186

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=CS2)C[NH+]3CCN(CC3)C4=NC=CC=N4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=CS2)C[NH+]3CCN(CC3)C4=NC=CC=N4)OC

InChI

InChI=1S/C20H23N5O2S/c1-26-17-5-4-15(12-18(17)27-2)19-23-16(14-28-19)13-24-8-10-25(11-9-24)20-21-6-3-7-22-20/h3-7,12,14H,8-11,13H2,1-2H3/p+1