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

Systemtic Name: 2-(4-chlorophenyl)-4-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazole Openeye Name: 2-(4-chlorophenyl)-4-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]thiazole CAS Name: 2-(4-chlorophenyl)-4-[[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]methyl]thiazole IUPAC Name: 2-(4-chlorophenyl)-4-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazole Traditional Name: 2-(4-chlorophenyl)-4-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]thiazole Formula: C21H23ClN3OS+ MolecularWeight: 400.94482

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CC[NH+](CC2)CC3=CSC(=N3)C4=CC=C(C=C4)Cl

Isomeric SMILES

COC1=CC=CC(=C1)N2CC[NH+](CC2)CC3=CSC(=N3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H22ClN3OS/c1-26-20-4-2-3-19(13-20)25-11-9-24(10-12-25)14-18-15-27-21(23-18)16-5-7-17(22)8-6-16/h2-8,13,15H,9-12,14H2,1H3/p+1