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

Systemtic Name: 2-(4-methoxyphenyl)-4-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazole Openeye Name: 2-(4-methoxyphenyl)-4-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]thiazole CAS Name: 2-(4-methoxyphenyl)-4-[[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]methyl]thiazole IUPAC Name: 2-(4-methoxyphenyl)-4-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazole Traditional Name: 2-(4-methoxyphenyl)-4-[[4-(3-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=NC(=CS2)C[NH+]3CCN(CC3)C4=CC(=CC=C4)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=CS2)C[NH+]3CCN(CC3)C4=CC(=CC=C4)OC

InChI

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