methyl 1-methyl-5-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]sulfonyl-pyrrole-2-carboxylate

Systemtic Name: methyl 1-methyl-5-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]sulfonyl-pyrrole-2-carboxylate Openeye Name: methyl 1-methyl-5-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]sulfonyl-pyrrole-2-carboxylate CAS Name: 1-methyl-5-[[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]sulfonyl]-2-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 1-methyl-5-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]sulfonylpyrrole-2-carboxylate Traditional Name: 1-methyl-5-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazino]sulfonyl-pyrrole-2-carboxylic acid methyl ester Formula: C17H20F3N4O4S+ MolecularWeight: 433.42531

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=C1S(=O)(=O)N2CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F)C(=O)OC

Isomeric SMILES

CN1C(=CC=C1S(=O)(=O)N2CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F)C(=O)OC

InChI

InChI=1S/C17H19F3N4O4S/c1-22-13(16(25)28-2)4-6-15(22)29(26,27)24-9-7-23(8-10-24)14-5-3-12(11-21-14)17(18,19)20/h3-6,11H,7-10H2,1-2H3/p+1