3-(4-chlorophenyl)-8-azabicyclo[3.2.1]oct-3-ene; propanedioic acid

Systemtic Name: 3-(4-chlorophenyl)-8-azabicyclo[3.2.1]oct-3-ene; propanedioic acid Openeye Name: 3-(4-chlorophenyl)-8-azabicyclo[3.2.1]oct-3-ene; malonic acid CAS Name: 3-(4-chlorophenyl)-8-azabicyclo[3.2.1]oct-3-ene; propanedioic acid IUPAC Name: 3-(4-chlorophenyl)-8-azabicyclo[3.2.1]oct-3-ene; propanedioic acid Traditional Name: 3-(4-chlorophenyl)-8-azabicyclo[3.2.1]oct-3-ene; malonic acid Formula: C16H18ClNO4 MolecularWeight: 323.77142

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C=C(CC1N2)C3=CC=C(C=C3)Cl.C(C(=O)O)C(=O)O

Isomeric SMILES

C1CC2C=C(CC1N2)C3=CC=C(C=C3)Cl.C(C(=O)O)C(=O)O

InChI

InChI=1S/C13H14ClN.C3H4O4/c14-11-3-1-9(2-4-11)10-7-12-5-6-13(8-10)15-12;4-2(5)1-3(6)7/h1-4,7,12-13,15H,5-6,8H2;1H2,(H,4,5)(H,6,7)