1-(3H-perimidin-3-ium-6-yl)ethanone chloride

Systemtic Name: 1-(3H-perimidin-3-ium-6-yl)ethanone chloride Openeye Name: 1-(3H-perimidin-3-ium-6-yl)ethanone chloride CAS Name: 1-(3H-perimidin-3-ium-6-yl)ethanone chloride IUPAC Name: 1-(3H-perimidin-3-ium-6-yl)ethanone chloride Traditional Name: 1-(3H-perimidin-3-ium-6-yl)ethanone chloride Formula: C13H11ClN2O MolecularWeight: 246.69224

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C2C=CC=C3C2=C(C=C1)[NH2+]C=N3.[Cl-]

Isomeric SMILES

CC(=O)C1=C2C=CC=C3C2=C(C=C1)[NH2+]C=N3.[Cl-]

InChI

InChI=1S/C13H10N2O.ClH/c1-8(16)9-5-6-12-13-10(9)3-2-4-11(13)14-7-15-12;/h2-7H,1H3,(H,14,15);1H