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

Systemtic Name: 2-(3,4-dimethoxyphenyl)-4-[[4-(2-methylphenyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazole Openeye Name: 2-(3,4-dimethoxyphenyl)-4-[[4-(o-tolyl)piperazin-1-ium-1-yl]methyl]thiazole CAS Name: 2-(3,4-dimethoxyphenyl)-4-[[4-(2-methylphenyl)-1-piperazin-1-iumyl]methyl]thiazole IUPAC Name: 2-(3,4-dimethoxyphenyl)-4-[[4-(2-methylphenyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazole Traditional Name: 2-(3,4-dimethoxyphenyl)-4-[[4-(o-tolyl)piperazin-1-ium-1-yl]methyl]thiazole Formula: C23H28N3O2S+ MolecularWeight: 410.55232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)CC3=CSC(=N3)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)CC3=CSC(=N3)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C23H27N3O2S/c1-17-6-4-5-7-20(17)26-12-10-25(11-13-26)15-19-16-29-23(24-19)18-8-9-21(27-2)22(14-18)28-3/h4-9,14,16H,10-13,15H2,1-3H3/p+1