2-[3-(dimethylazaniumyl)propyl]-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: 2-[3-(dimethylazaniumyl)propyl]-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: 2-[3-(dimethylammonio)propyl]-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-[3-(dimethylammonio)propyl]-1,3-dioxo-5-isoindolecarboxylate IUPAC Name: 2-[3-(dimethylazaniumyl)propyl]-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-[3-(dimethylammonio)propyl]-1,3-diketo-isoindoline-5-carboxylate Formula: C14H16N2O4 MolecularWeight: 276.28784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)[O-]

Isomeric SMILES

C[NH+](C)CCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C14H16N2O4/c1-15(2)6-3-7-16-12(17)10-5-4-9(14(19)20)8-11(10)13(16)18/h4-5,8H,3,6-7H2,1-2H3,(H,19,20)