5-chloranyl-2-methylsulfonyl-pyrimidine-4-carboxylate; piperidin-1-ium

Systemtic Name: 5-chloranyl-2-methylsulfonyl-pyrimidine-4-carboxylate; piperidin-1-ium Openeye Name: 5-chloro-2-methylsulfonyl-pyrimidine-4-carboxylate; piperidin-1-ium CAS Name: 5-chloro-2-methylsulfonyl-4-pyrimidinecarboxylate; piperidin-1-ium IUPAC Name: 5-chloro-2-methylsulfonylpyrimidine-4-carboxylate; piperidin-1-ium Traditional Name: 5-chloro-2-mesyl-pyrimidine-4-carboxylate; piperidin-1-ium Formula: C11H16ClN3O4S MolecularWeight: 321.78044

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NC=C(C(=N1)C(=O)[O-])Cl.C1CC[NH2+]CC1

Isomeric SMILES

CS(=O)(=O)C1=NC=C(C(=N1)C(=O)[O-])Cl.C1CC[NH2+]CC1

InChI

InChI=1S/C6H5ClN2O4S.C5H11N/c1-14(12,13)6-8-2-3(7)4(9-6)5(10)11;1-2-4-6-5-3-1/h2H,1H3,(H,10,11);6H,1-5H2