methyl 5-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-(2,5-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C19H25N2O5S+ MolecularWeight: 393.4772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=C(O3)C(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=C(O3)C(=O)OC

InChI

InChI=1S/C19H24N2O5S/c1-14-4-5-15(2)18(12-14)27(23,24)21-10-8-20(9-11-21)13-16-6-7-17(26-16)19(22)25-3/h4-7,12H,8-11,13H2,1-3H3/p+1