2-[3-(1H-benzimidazol-3-ium-2-yl)propyl]-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: 2-[3-(1H-benzimidazol-3-ium-2-yl)propyl]-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: 2-[3-(1H-benzimidazol-3-ium-2-yl)propyl]-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-[3-(1H-benzimidazol-3-ium-2-yl)propyl]-1,3-dioxo-5-isoindolecarboxylate IUPAC Name: 2-[3-(1H-benzimidazol-3-ium-2-yl)propyl]-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-[3-(1H-benzimidazol-3-ium-2-yl)propyl]-1,3-diketo-isoindoline-5-carboxylate Formula: C19H15N3O4 MolecularWeight: 349.3401

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=[NH+]2)CCCN3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=[NH+]2)CCCN3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)[O-]

InChI

InChI=1S/C19H15N3O4/c23-17-12-8-7-11(19(25)26)10-13(12)18(24)22(17)9-3-6-16-20-14-4-1-2-5-15(14)21-16/h1-2,4-5,7-8,10H,3,6,9H2,(H,20,21)(H,25,26)