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

Systemtic Name: methyl 5-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)methyl]furan-2-carboxylate CAS Name: 5-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazin-1-iumyl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)methyl]furan-2-carboxylic acid methyl ester Formula: C20H25N2O5S+ MolecularWeight: 405.4879

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3

Isomeric SMILES

COC(=O)C1=CC=C(O1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3

InChI

InChI=1S/C20H24N2O5S/c1-26-20(23)19-8-6-17(27-19)14-21-9-11-22(12-10-21)28(24,25)18-7-5-15-3-2-4-16(15)13-18/h5-8,13H,2-4,9-12,14H2,1H3/p+1