2-[(3-azanyl-1H-isoindol-2-ium-2-yl)methyl]benzenecarbonitrile chloride

Systemtic Name: 2-[(3-azanyl-1H-isoindol-2-ium-2-yl)methyl]benzenecarbonitrile chloride Openeye Name: 2-[(3-amino-1H-isoindol-2-ium-2-yl)methyl]benzonitrile chloride CAS Name: 2-[(3-amino-1H-isoindol-2-ium-2-yl)methyl]benzonitrile chloride IUPAC Name: 2-[(3-amino-1H-isoindol-2-ium-2-yl)methyl]benzonitrile chloride Traditional Name: 2-[(3-amino-1H-isoindol-2-ium-2-yl)methyl]benzonitrile chloride Formula: C16H14ClN3 MolecularWeight: 283.75546

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=[N+]1CC3=CC=CC=C3C#N)N.[Cl-]

Isomeric SMILES

C1C2=CC=CC=C2C(=[N+]1CC3=CC=CC=C3C#N)N.[Cl-]

InChI

InChI=1S/C16H13N3.ClH/c17-9-12-5-1-2-6-13(12)10-19-11-14-7-3-4-8-15(14)16(19)18;/h1-8,18H,10-11H2;1H