2-carboxy-6,7-dihydro-[1,3]benzodioxolo[5,6-a]quinolizin-5-ium-3-carboxylate

Systemtic Name: 2-carboxy-6,7-dihydro-[1,3]benzodioxolo[5,6-a]quinolizin-5-ium-3-carboxylate Openeye Name: 2-carboxy-6,7-dihydro-[1,3]benzodioxolo[5,6-a]quinolizin-5-ium-3-carboxylate CAS Name: 2-carboxy-6,7-dihydro-[1,3]benzodioxolo[5,6-a]quinolizin-5-ium-3-carboxylate IUPAC Name: 2-carboxy-6,7-dihydro-[1,3]benzodioxolo[5,6-a]quinolizin-5-ium-3-carboxylate Traditional Name: 2-carboxy-6,7-dihydro-[1,3]benzodioxolo[5,6-a]quinolizin-5-ium-3-carboxylate Formula: C16H11NO6 MolecularWeight: 313.26164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2=C(C=C(C(=C2)C(=O)[O-])C(=O)O)C3=CC4=C(C=C31)OCO4

Isomeric SMILES

C1C[N+]2=C(C=C(C(=C2)C(=O)[O-])C(=O)O)C3=CC4=C(C=C31)OCO4

InChI

InChI=1S/C16H11NO6/c18-15(19)10-4-12-9-5-14-13(22-7-23-14)3-8(9)1-2-17(12)6-11(10)16(20)21/h3-6H,1-2,7H2,(H-,18,19,20,21)