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

Systemtic Name: methyl 4,5-dimethyl-3-piperazin-4-ium-1-ylsulfonyl-furan-2-carboxylate Openeye Name: methyl 4,5-dimethyl-3-piperazin-4-ium-1-ylsulfonyl-furan-2-carboxylate CAS Name: 4,5-dimethyl-3-(1-piperazin-4-iumylsulfonyl)-2-furancarboxylic acid methyl ester IUPAC Name: methyl 4,5-dimethyl-3-piperazin-4-ium-1-ylsulfonylfuran-2-carboxylate Traditional Name: 4,5-dimethyl-3-piperazin-4-ium-1-ylsulfonyl-furan-2-carboxylic acid methyl ester Formula: C12H19N2O5S+ MolecularWeight: 303.35466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N2O5S/c1-8-9(2)19-10(12(15)18-3)11(8)20(16,17)14-6-4-13-5-7-14/h13H,4-7H2,1-3H3/p+1