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

Systemtic Name: methyl 1-methyl-5-[4-(5-nitropyridin-1-ium-2-yl)piperazin-1-yl]sulfonyl-pyrrole-2-carboxylate Openeye Name: methyl 1-methyl-5-[4-(5-nitropyridin-1-ium-2-yl)piperazin-1-yl]sulfonyl-pyrrole-2-carboxylate CAS Name: 1-methyl-5-[[4-(5-nitro-2-pyridin-1-iumyl)-1-piperazinyl]sulfonyl]-2-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 1-methyl-5-[4-(5-nitropyridin-1-ium-2-yl)piperazin-1-yl]sulfonylpyrrole-2-carboxylate Traditional Name: 1-methyl-5-[4-(5-nitropyridin-1-ium-2-yl)piperazino]sulfonyl-pyrrole-2-carboxylic acid methyl ester Formula: C16H20N5O6S+ MolecularWeight: 410.4249

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N5O6S/c1-18-13(16(22)27-2)4-6-15(18)28(25,26)20-9-7-19(8-10-20)14-5-3-12(11-17-14)21(23)24/h3-6,11H,7-10H2,1-2H3/p+1