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

Systemtic Name: 2-(3-methoxyphenyl)-4-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazole Openeye Name: 2-(3-methoxyphenyl)-4-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]thiazole CAS Name: 2-(3-methoxyphenyl)-4-[[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]methyl]thiazole IUPAC Name: 2-(3-methoxyphenyl)-4-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazole Traditional Name: 2-(3-methoxyphenyl)-4-[[4-(4-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)N2CC[NH+](CC2)CC3=CSC(=N3)C4=CC(=CC=C4)OC

Isomeric SMILES

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

InChI

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