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

Systemtic Name: 4-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-2-(4-methoxyphenyl)-1,3-thiazole Openeye Name: 4-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-2-(4-methoxyphenyl)thiazole CAS Name: 4-[[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]methyl]-2-(4-methoxyphenyl)thiazole IUPAC Name: 4-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-2-(4-methoxyphenyl)-1,3-thiazole Traditional Name: 4-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-2-(4-methoxyphenyl)thiazole Formula: C23H28N3OS+ MolecularWeight: 394.55292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=CSC(=N3)C4=CC=C(C=C4)OC)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=CSC(=N3)C4=CC=C(C=C4)OC)C

InChI

InChI=1S/C23H27N3OS/c1-17-5-4-6-22(18(17)2)26-13-11-25(12-14-26)15-20-16-28-23(24-20)19-7-9-21(27-3)10-8-19/h4-10,16H,11-15H2,1-3H3/p+1