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

Systemtic Name: N-(3-azanyl-1H-isoindol-2-ium-2-yl)-2-(4-bromanylphenoxy)ethanamide Openeye Name: N-(3-amino-1H-isoindol-2-ium-2-yl)-2-(4-bromophenoxy)acetamide CAS Name: N-(3-amino-1H-isoindol-2-ium-2-yl)-2-(4-bromophenoxy)acetamide IUPAC Name: N-(3-amino-1H-isoindol-2-ium-2-yl)-2-(4-bromophenoxy)acetamide Traditional Name: N-(3-amino-1H-isoindol-2-ium-2-yl)-2-(4-bromophenoxy)acetamide Formula: C16H15BrN3O2+ MolecularWeight: 361.2132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14BrN3O2/c17-12-5-7-13(8-6-12)22-10-15(21)19-20-9-11-3-1-2-4-14(11)16(20)18/h1-8,18H,9-10H2,(H,19,21)/p+1