2-(3,4-dimethoxyphenyl)-4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazole

Systemtic Name: 2-(3,4-dimethoxyphenyl)-4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazole Openeye Name: 2-(3,4-dimethoxyphenyl)-4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]thiazole CAS Name: 2-(3,4-dimethoxyphenyl)-4-[[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]methyl]thiazole IUPAC Name: 2-(3,4-dimethoxyphenyl)-4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazole Traditional Name: 2-(3,4-dimethoxyphenyl)-4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]thiazole Formula: C23H28N3O3S+ MolecularWeight: 426.55172

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=CS2)C[NH+]3CCN(CC3)C4=CC=CC=C4OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=CS2)C[NH+]3CCN(CC3)C4=CC=CC=C4OC)OC

InChI

InChI=1S/C23H27N3O3S/c1-27-20-7-5-4-6-19(20)26-12-10-25(11-13-26)15-18-16-30-23(24-18)17-8-9-21(28-2)22(14-17)29-3/h4-9,14,16H,10-13,15H2,1-3H3/p+1