5-(4-azanylphenoxy)-2-(pyridin-1-ium-3-ylmethyl)isoindole-1,3-dione

Systemtic Name: 5-(4-azanylphenoxy)-2-(pyridin-1-ium-3-ylmethyl)isoindole-1,3-dione Openeye Name: 5-(4-aminophenoxy)-2-(pyridin-1-ium-3-ylmethyl)isoindoline-1,3-dione CAS Name: 5-(4-aminophenoxy)-2-(3-pyridin-1-iumylmethyl)isoindole-1,3-dione IUPAC Name: 5-(4-aminophenoxy)-2-(pyridin-1-ium-3-ylmethyl)isoindole-1,3-dione Traditional Name: 5-(4-aminophenoxy)-2-(pyridin-1-ium-3-ylmethyl)isoindoline-1,3-quinone Formula: C20H16N3O3+ MolecularWeight: 346.35934

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[NH+]=C1)CN2C(=O)C3=C(C2=O)C=C(C=C3)OC4=CC=C(C=C4)N

Isomeric SMILES

C1=CC(=C[NH+]=C1)CN2C(=O)C3=C(C2=O)C=C(C=C3)OC4=CC=C(C=C4)N

InChI

InChI=1S/C20H15N3O3/c21-14-3-5-15(6-4-14)26-16-7-8-17-18(10-16)20(25)23(19(17)24)12-13-2-1-9-22-11-13/h1-11H,12,21H2/p+1