4-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole

Systemtic Name: 4-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole Openeye Name: 4-[(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)methyl]-2-(3-thienyl)thiazole CAS Name: 4-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazin-1-iumyl]methyl]-2-(3-thiophenyl)thiazole IUPAC Name: 4-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole Traditional Name: 4-[(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)methyl]-2-(3-thienyl)thiazole Formula: C21H24N3O2S3+ MolecularWeight: 446.62916

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=CSC(=N4)C5=CSC=C5

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=CSC(=N4)C5=CSC=C5

InChI

InChI=1S/C21H23N3O2S3/c25-29(26,20-5-4-16-2-1-3-17(16)12-20)24-9-7-23(8-10-24)13-19-15-28-21(22-19)18-6-11-27-14-18/h4-6,11-12,14-15H,1-3,7-10,13H2/p+1