methyl 8-(3-methoxy-3-oxidanylidene-propyl)-2-oxidanylidene-8-azoniabicyclo[3.2.1]oct-3-ene-6-carboxylate perchlorate

Systemtic Name: methyl 8-(3-methoxy-3-oxidanylidene-propyl)-2-oxidanylidene-8-azoniabicyclo[3.2.1]oct-3-ene-6-carboxylate perchlorate Openeye Name: methyl 8-(3-methoxy-3-oxo-propyl)-2-oxo-8-azoniabicyclo[3.2.1]oct-3-ene-6-carboxylate perchlorate CAS Name: 8-(3-methoxy-3-oxopropyl)-2-oxo-8-azoniabicyclo[3.2.1]oct-3-ene-6-carboxylic acid methyl ester perchlorate IUPAC Name: methyl 8-(3-methoxy-3-oxopropyl)-2-oxo-8-azoniabicyclo[3.2.1]oct-3-ene-6-carboxylate perchlorate Traditional Name: 2-keto-8-(3-keto-3-methoxy-propyl)-8-azoniabicyclo[3.2.1]oct-3-ene-6-carboxylic acid methyl ester perchlorate Formula: C13H18ClNO9 MolecularWeight: 367.73632

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC[NH+]1C2CC(C1C=CC2=O)C(=O)OC.[O-]Cl(=O)(=O)=O

Isomeric SMILES

COC(=O)CC[NH+]1C2CC(C1C=CC2=O)C(=O)OC.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C13H17NO5.ClHO4/c1-18-12(16)5-6-14-9-3-4-11(15)10(14)7-8(9)13(17)19-2;2-1(3,4)5/h3-4,8-10H,5-7H2,1-2H3;(H,2,3,4,5)