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

Systemtic Name: 3-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-5-(furan-2-yl)-1,2-oxazole Openeye Name: 5-(2-furyl)-3-[(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)methyl]isoxazole CAS Name: 3-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazin-1-iumyl]methyl]-5-(2-furanyl)isoxazole IUPAC Name: 3-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-5-(furan-2-yl)-1,2-oxazole Traditional Name: 5-(2-furyl)-3-[(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)methyl]isoxazole Formula: C21H24N3O4S+ MolecularWeight: 414.49796

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=NOC(=C4)C5=CC=CO5

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=NOC(=C4)C5=CC=CO5

InChI

InChI=1S/C21H23N3O4S/c25-29(26,19-7-6-16-3-1-4-17(16)13-19)24-10-8-23(9-11-24)15-18-14-21(28-22-18)20-5-2-12-27-20/h2,5-7,12-14H,1,3-4,8-11,15H2/p+1