methyl 5-methyl-4-piperazin-4-ium-1-ylsulfonyl-furan-2-carboxylate

Systemtic Name: methyl 5-methyl-4-piperazin-4-ium-1-ylsulfonyl-furan-2-carboxylate Openeye Name: methyl 5-methyl-4-piperazin-4-ium-1-ylsulfonyl-furan-2-carboxylate CAS Name: 5-methyl-4-(1-piperazin-4-iumylsulfonyl)-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-4-piperazin-4-ium-1-ylsulfonylfuran-2-carboxylate Traditional Name: 5-methyl-4-piperazin-4-ium-1-ylsulfonyl-furan-2-carboxylic acid methyl ester Formula: C11H17N2O5S+ MolecularWeight: 289.32808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)C(=O)OC)S(=O)(=O)N2CC[NH2+]CC2

Isomeric SMILES

CC1=C(C=C(O1)C(=O)OC)S(=O)(=O)N2CC[NH2+]CC2

InChI

InChI=1S/C11H16N2O5S/c1-8-10(7-9(18-8)11(14)17-2)19(15,16)13-5-3-12-4-6-13/h7,12H,3-6H2,1-2H3/p+1