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

Systemtic Name: methyl 5-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-2-methyl-furan-3-carboxylate Openeye Name: methyl 5-[(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)methyl]-2-methyl-furan-3-carboxylate CAS Name: 5-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazin-1-iumyl]methyl]-2-methyl-3-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-2-methylfuran-3-carboxylate Traditional Name: 5-[(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)methyl]-2-methyl-furan-3-carboxylic acid methyl ester Formula: C21H27N2O5S+ MolecularWeight: 419.51448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3)C(=O)OC

Isomeric SMILES

CC1=C(C=C(O1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3)C(=O)OC

InChI

InChI=1S/C21H26N2O5S/c1-15-20(21(24)27-2)13-18(28-15)14-22-8-10-23(11-9-22)29(25,26)19-7-6-16-4-3-5-17(16)12-19/h6-7,12-13H,3-5,8-11,14H2,1-2H3/p+1