methyl 2-methyl-5-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]furan-3-carboxylate

Systemtic Name: methyl 2-methyl-5-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]furan-3-carboxylate Openeye Name: methyl 2-methyl-5-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]furan-3-carboxylate CAS Name: 2-methyl-5-[[4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-3-furancarboxylic acid methyl ester IUPAC Name: methyl 2-methyl-5-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]furan-3-carboxylate Traditional Name: 5-[(4-mesitylsulfonylpiperazin-1-ium-1-yl)methyl]-2-methyl-furan-3-carboxylic acid methyl ester Formula: C21H29N2O5S+ MolecularWeight: 421.53036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O5S/c1-14-10-15(2)20(16(3)11-14)29(25,26)23-8-6-22(7-9-23)13-18-12-19(17(4)28-18)21(24)27-5/h10-12H,6-9,13H2,1-5H3/p+1