N-(3-azanyl-1H-isoindol-2-ium-2-yl)-2-(4-phenylmethoxyphenoxy)ethanamide

Systemtic Name: N-(3-azanyl-1H-isoindol-2-ium-2-yl)-2-(4-phenylmethoxyphenoxy)ethanamide Openeye Name: N-(3-amino-1H-isoindol-2-ium-2-yl)-2-(4-benzyloxyphenoxy)acetamide CAS Name: N-(3-amino-1H-isoindol-2-ium-2-yl)-2-(4-phenylmethoxyphenoxy)acetamide IUPAC Name: N-(3-amino-1H-isoindol-2-ium-2-yl)-2-(4-phenylmethoxyphenoxy)acetamide Traditional Name: N-(3-amino-1H-isoindol-2-ium-2-yl)-2-(4-benzoxyphenoxy)acetamide Formula: C23H22N3O3+ MolecularWeight: 388.43908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=[N+]1NC(=O)COC3=CC=C(C=C3)OCC4=CC=CC=C4)N

Isomeric SMILES

C1C2=CC=CC=C2C(=[N+]1NC(=O)COC3=CC=C(C=C3)OCC4=CC=CC=C4)N

InChI

InChI=1S/C23H21N3O3/c24-23-21-9-5-4-8-18(21)14-26(23)25-22(27)16-29-20-12-10-19(11-13-20)28-15-17-6-2-1-3-7-17/h1-13,24H,14-16H2,(H,25,27)/p+1