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

Systemtic Name: 3-[2-azanyl-1,3-bis(oxidanylidene)isoindol-2-ium-2-yl]-3-(3,4-diethoxyphenyl)propanamide Openeye Name: 3-(2-amino-1,3-dioxo-isoindolin-2-ium-2-yl)-3-(3,4-diethoxyphenyl)propanamide CAS Name: 3-(2-amino-1,3-dioxo-2-isoindol-2-iumyl)-3-(3,4-diethoxyphenyl)propanamide IUPAC Name: 3-(2-amino-1,3-dioxoisoindol-2-ium-2-yl)-3-(3,4-diethoxyphenyl)propanamide Traditional Name: 3-(2-amino-1,3-diketo-isoindolin-2-ium-2-yl)-3-(3,4-diethoxyphenyl)propionamide Formula: C21H24N3O5+ MolecularWeight: 398.43236

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(CC(=O)N)[N+]2(C(=O)C3=CC=CC=C3C2=O)N)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(CC(=O)N)[N+]2(C(=O)C3=CC=CC=C3C2=O)N)OCC

InChI

InChI=1S/C21H23N3O5/c1-3-28-17-10-9-13(11-18(17)29-4-2)16(12-19(22)25)24(23)20(26)14-7-5-6-8-15(14)21(24)27/h5-11,16H,3-4,12,23H2,1-2H3,(H-,22,25)/p+1