N-(3-azanyl-1H-isoindol-2-ium-2-yl)-2-[4-(4-cyanophenyl)phenoxy]ethanamide

Systemtic Name: N-(3-azanyl-1H-isoindol-2-ium-2-yl)-2-[4-(4-cyanophenyl)phenoxy]ethanamide Openeye Name: N-(3-amino-1H-isoindol-2-ium-2-yl)-2-[4-(4-cyanophenyl)phenoxy]acetamide CAS Name: N-(3-amino-1H-isoindol-2-ium-2-yl)-2-[4-(4-cyanophenyl)phenoxy]acetamide IUPAC Name: N-(3-amino-1H-isoindol-2-ium-2-yl)-2-[4-(4-cyanophenyl)phenoxy]acetamide Traditional Name: N-(3-amino-1H-isoindol-2-ium-2-yl)-2-[4-(4-cyanophenyl)phenoxy]acetamide Formula: C23H19N4O2+ MolecularWeight: 383.42256

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=[N+]1NC(=O)COC3=CC=C(C=C3)C4=CC=C(C=C4)C#N)N

Isomeric SMILES

C1C2=CC=CC=C2C(=[N+]1NC(=O)COC3=CC=C(C=C3)C4=CC=C(C=C4)C#N)N

InChI

InChI=1S/C23H18N4O2/c24-13-16-5-7-17(8-6-16)18-9-11-20(12-10-18)29-15-22(28)26-27-14-19-3-1-2-4-21(19)23(27)25/h1-12,25H,14-15H2,(H,26,28)/p+1