2-(2,3-dimethoxyphenyl)-4-[[4-(thiophen-2-ylmethyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazole

Systemtic Name: 2-(2,3-dimethoxyphenyl)-4-[[4-(thiophen-2-ylmethyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazole Openeye Name: 2-(2,3-dimethoxyphenyl)-4-[[4-(2-thienylmethyl)piperazin-1-ium-1-yl]methyl]thiazole CAS Name: 2-(2,3-dimethoxyphenyl)-4-[[4-(thiophen-2-ylmethyl)-1-piperazin-1-iumyl]methyl]thiazole IUPAC Name: 2-(2,3-dimethoxyphenyl)-4-[[4-(thiophen-2-ylmethyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazole Traditional Name: 2-(2,3-dimethoxyphenyl)-4-[[4-(2-thenyl)piperazin-1-ium-1-yl]methyl]thiazole Formula: C21H26N3O2S2+ MolecularWeight: 416.58004

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C2=NC(=CS2)C[NH+]3CCN(CC3)CC4=CC=CS4

Isomeric SMILES

COC1=CC=CC(=C1OC)C2=NC(=CS2)C[NH+]3CCN(CC3)CC4=CC=CS4

InChI

InChI=1S/C21H25N3O2S2/c1-25-19-7-3-6-18(20(19)26-2)21-22-16(15-28-21)13-23-8-10-24(11-9-23)14-17-5-4-12-27-17/h3-7,12,15H,8-11,13-14H2,1-2H3/p+1