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

Systemtic Name: 2-(2-chlorophenyl)-4-[[4-(2-methylphenyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazole Openeye Name: 2-(2-chlorophenyl)-4-[[4-(o-tolyl)piperazin-1-ium-1-yl]methyl]thiazole CAS Name: 2-(2-chlorophenyl)-4-[[4-(2-methylphenyl)-1-piperazin-1-iumyl]methyl]thiazole IUPAC Name: 2-(2-chlorophenyl)-4-[[4-(2-methylphenyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazole Traditional Name: 2-(2-chlorophenyl)-4-[[4-(o-tolyl)piperazin-1-ium-1-yl]methyl]thiazole Formula: C21H23ClN3S+ MolecularWeight: 384.94542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)CC3=CSC(=N3)C4=CC=CC=C4Cl

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)CC3=CSC(=N3)C4=CC=CC=C4Cl

InChI

InChI=1S/C21H22ClN3S/c1-16-6-2-5-9-20(16)25-12-10-24(11-13-25)14-17-15-26-21(23-17)18-7-3-4-8-19(18)22/h2-9,15H,10-14H2,1H3/p+1