3-[2-azanyl-1,3-bis(oxidanylidene)isoindol-2-ium-2-yl]-3-(3,4-dimethoxyphenyl)propanamide

Systemtic Name: 3-[2-azanyl-1,3-bis(oxidanylidene)isoindol-2-ium-2-yl]-3-(3,4-dimethoxyphenyl)propanamide Openeye Name: 3-(2-amino-1,3-dioxo-isoindolin-2-ium-2-yl)-3-(3,4-dimethoxyphenyl)propanamide CAS Name: 3-(2-amino-1,3-dioxo-2-isoindol-2-iumyl)-3-(3,4-dimethoxyphenyl)propanamide IUPAC Name: 3-(2-amino-1,3-dioxoisoindol-2-ium-2-yl)-3-(3,4-dimethoxyphenyl)propanamide Traditional Name: 3-(2-amino-1,3-diketo-isoindolin-2-ium-2-yl)-3-(3,4-dimethoxyphenyl)propionamide Formula: C19H20N3O5+ MolecularWeight: 370.3792

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CC(=O)N)[N+]2(C(=O)C3=CC=CC=C3C2=O)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(CC(=O)N)[N+]2(C(=O)C3=CC=CC=C3C2=O)N)OC

InChI

InChI=1S/C19H19N3O5/c1-26-15-8-7-11(9-16(15)27-2)14(10-17(20)23)22(21)18(24)12-5-3-4-6-13(12)19(22)25/h3-9,14H,10,21H2,1-2H3,(H-,20,23)/p+1