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

Systemtic Name: 2-(3,4-dimethoxyphenyl)-4-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazole Openeye Name: 2-(3,4-dimethoxyphenyl)-4-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]thiazole CAS Name: 2-(3,4-dimethoxyphenyl)-4-[[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]methyl]thiazole IUPAC Name: 2-(3,4-dimethoxyphenyl)-4-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazole Traditional Name: 2-(3,4-dimethoxyphenyl)-4-[[4-(3-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=C4)OC)OC

Isomeric SMILES

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

InChI

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