2-(3-azanyl-1H-isoindol-2-ium-2-yl)-1-thiophen-2-yl-ethanone bromide

Systemtic Name: 2-(3-azanyl-1H-isoindol-2-ium-2-yl)-1-thiophen-2-yl-ethanone bromide Openeye Name: 2-(3-amino-1H-isoindol-2-ium-2-yl)-1-(2-thienyl)ethanone bromide CAS Name: 2-(3-amino-1H-isoindol-2-ium-2-yl)-1-thiophen-2-ylethanone bromide IUPAC Name: 2-(3-amino-1H-isoindol-2-ium-2-yl)-1-thiophen-2-ylethanone bromide Traditional Name: 2-(3-amino-1H-isoindol-2-ium-2-yl)-1-(2-thienyl)ethanone bromide Formula: C14H13BrN2OS MolecularWeight: 337.23482

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=[N+]1CC(=O)C3=CC=CS3)N.[Br-]

Isomeric SMILES

C1C2=CC=CC=C2C(=[N+]1CC(=O)C3=CC=CS3)N.[Br-]

InChI

InChI=1S/C14H12N2OS.BrH/c15-14-11-5-2-1-4-10(11)8-16(14)9-12(17)13-6-3-7-18-13;/h1-7,15H,8-9H2;1H