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

Systemtic Name: 4-(4-methoxyphenyl)-2-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazole Openeye Name: 4-(4-methoxyphenyl)-2-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]thiazole CAS Name: 4-(4-methoxyphenyl)-2-[[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]methyl]thiazole IUPAC Name: 4-(4-methoxyphenyl)-2-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazole Traditional Name: 4-(4-methoxyphenyl)-2-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]thiazole Formula: C22H26N3O2S+ MolecularWeight: 396.52574

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CSC(=N2)C[NH+]3CCN(CC3)C4=CC=CC=C4OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=CSC(=N2)C[NH+]3CCN(CC3)C4=CC=CC=C4OC

InChI

InChI=1S/C22H25N3O2S/c1-26-18-9-7-17(8-10-18)19-16-28-22(23-19)15-24-11-13-25(14-12-24)20-5-3-4-6-21(20)27-2/h3-10,16H,11-15H2,1-2H3/p+1