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

Systemtic Name: 5-methyl-4-piperazin-4-ium-1-ylsulfonyl-furan-2-carboxylate Openeye Name: 5-methyl-4-piperazin-4-ium-1-ylsulfonyl-furan-2-carboxylate CAS Name: 5-methyl-4-(1-piperazin-4-iumylsulfonyl)-2-furancarboxylate IUPAC Name: 5-methyl-4-piperazin-4-ium-1-ylsulfonylfuran-2-carboxylate Traditional Name: 5-methyl-4-piperazin-4-ium-1-ylsulfonyl-2-furoate Formula: C10H14N2O5S MolecularWeight: 274.29356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H14N2O5S/c1-7-9(6-8(17-7)10(13)14)18(15,16)12-4-2-11-3-5-12/h6,11H,2-5H2,1H3,(H,13,14)