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

Systemtic Name: 4-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-2-(furan-2-yl)-1,3-thiazole Openeye Name: 2-(2-furyl)-4-[(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)methyl]thiazole CAS Name: 4-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazin-1-iumyl]methyl]-2-(2-furanyl)thiazole IUPAC Name: 4-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-2-(furan-2-yl)-1,3-thiazole Traditional Name: 2-(2-furyl)-4-[(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)methyl]thiazole Formula: C21H24N3O3S2+ MolecularWeight: 430.56356

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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=CC=CO5

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=CSC(=N4)C5=CC=CO5

InChI

InChI=1S/C21H23N3O3S2/c25-29(26,19-7-6-16-3-1-4-17(16)13-19)24-10-8-23(9-11-24)14-18-15-28-21(22-18)20-5-2-12-27-20/h2,5-7,12-13,15H,1,3-4,8-11,14H2/p+1