4,5-dimethyl-3-piperazin-4-ium-1-ylsulfonyl-furan-2-carboxylate

Systemtic Name: 4,5-dimethyl-3-piperazin-4-ium-1-ylsulfonyl-furan-2-carboxylate Openeye Name: 4,5-dimethyl-3-piperazin-4-ium-1-ylsulfonyl-furan-2-carboxylate CAS Name: 4,5-dimethyl-3-(1-piperazin-4-iumylsulfonyl)-2-furancarboxylate IUPAC Name: 4,5-dimethyl-3-piperazin-4-ium-1-ylsulfonylfuran-2-carboxylate Traditional Name: 4,5-dimethyl-3-piperazin-4-ium-1-ylsulfonyl-2-furoate Formula: C11H16N2O5S MolecularWeight: 288.32014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C1S(=O)(=O)N2CC[NH2+]CC2)C(=O)[O-])C

Isomeric SMILES

CC1=C(OC(=C1S(=O)(=O)N2CC[NH2+]CC2)C(=O)[O-])C

InChI

InChI=1S/C11H16N2O5S/c1-7-8(2)18-9(11(14)15)10(7)19(16,17)13-5-3-12-4-6-13/h12H,3-6H2,1-2H3,(H,14,15)