[2-oxidanylidene-2-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylamino)ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylamino)ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylamino)ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [2-oxo-2-(5-spiro[1,3-benzodioxole-2,1'-cyclopentane]ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylamino)ethyl] 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [2-keto-2-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylamino)ethyl] ester Formula: C19H18N2O6 MolecularWeight: 370.35602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(C1)OC3=C(O2)C=C(C=C3)NC(=O)COC(=O)C4=CC=[N+](C=C4)[O-]

Isomeric SMILES

C1CCC2(C1)OC3=C(O2)C=C(C=C3)NC(=O)COC(=O)C4=CC=[N+](C=C4)[O-]

InChI

InChI=1S/C19H18N2O6/c22-17(12-25-18(23)13-5-9-21(24)10-6-13)20-14-3-4-15-16(11-14)27-19(26-15)7-1-2-8-19/h3-6,9-11H,1-2,7-8,12H2,(H,20,22)