methyl 5-[4-[3,5-bis(chloranyl)pyridin-1-ium-4-yl]piperazin-1-yl]sulfonyl-2-methyl-furan-3-carboxylate

Systemtic Name: methyl 5-[4-[3,5-bis(chloranyl)pyridin-1-ium-4-yl]piperazin-1-yl]sulfonyl-2-methyl-furan-3-carboxylate Openeye Name: methyl 5-[4-(3,5-dichloropyridin-1-ium-4-yl)piperazin-1-yl]sulfonyl-2-methyl-furan-3-carboxylate CAS Name: 5-[[4-(3,5-dichloro-4-pyridin-1-iumyl)-1-piperazinyl]sulfonyl]-2-methyl-3-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[4-(3,5-dichloropyridin-1-ium-4-yl)piperazin-1-yl]sulfonyl-2-methylfuran-3-carboxylate Traditional Name: 5-[4-(3,5-dichloropyridin-1-ium-4-yl)piperazino]sulfonyl-2-methyl-furan-3-carboxylic acid methyl ester Formula: C16H18Cl2N3O5S+ MolecularWeight: 435.30222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)S(=O)(=O)N2CCN(CC2)C3=C(C=[NH+]C=C3Cl)Cl)C(=O)OC

Isomeric SMILES

CC1=C(C=C(O1)S(=O)(=O)N2CCN(CC2)C3=C(C=[NH+]C=C3Cl)Cl)C(=O)OC

InChI

InChI=1S/C16H17Cl2N3O5S/c1-10-11(16(22)25-2)7-14(26-10)27(23,24)21-5-3-20(4-6-21)15-12(17)8-19-9-13(15)18/h7-9H,3-6H2,1-2H3/p+1