7-methyl-9-oxidanylidene-3-(pyridin-2-ylmethyl)-3,7-diazabicyclo[3.3.1]nonane-1,5-dicarboxylate

Systemtic Name: 7-methyl-9-oxidanylidene-3-(pyridin-2-ylmethyl)-3,7-diazabicyclo[3.3.1]nonane-1,5-dicarboxylate Openeye Name: 7-methyl-9-oxo-3-(2-pyridylmethyl)-3,7-diazabicyclo[3.3.1]nonane-1,5-dicarboxylate CAS Name: 7-methyl-9-oxo-3-(2-pyridinylmethyl)-3,7-diazabicyclo[3.3.1]nonane-1,5-dicarboxylate IUPAC Name: 7-methyl-9-oxo-3-(pyridin-2-ylmethyl)-3,7-diazabicyclo[3.3.1]nonane-1,5-dicarboxylate Traditional Name: 9-keto-7-methyl-3-(2-pyridylmethyl)-3,7-diazabicyclo[3.3.1]nonane-1,5-dicarboxylate Formula: C16H17N3O5-2 MolecularWeight: 331.32328

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC2(CN(CC(C1)(C2=O)C(=O)[O-])CC3=CC=CC=N3)C(=O)[O-]

Isomeric SMILES

CN1CC2(CN(CC(C1)(C2=O)C(=O)[O-])CC3=CC=CC=N3)C(=O)[O-]

InChI

InChI=1S/C16H19N3O5/c1-18-7-15(13(21)22)9-19(6-11-4-2-3-5-17-11)10-16(8-18,12(15)20)14(23)24/h2-5H,6-10H2,1H3,(H,21,22)(H,23,24)/p-2