2-[1-(phenylmethyl)pyridin-1-ium-4-yl]indene-1,3-dione chloride

Systemtic Name: 2-[1-(phenylmethyl)pyridin-1-ium-4-yl]indene-1,3-dione chloride Openeye Name: 2-(1-benzylpyridin-1-ium-4-yl)indane-1,3-dione chloride CAS Name: 2-[1-(phenylmethyl)-4-pyridin-1-iumyl]indene-1,3-dione chloride IUPAC Name: 2-(1-benzylpyridin-1-ium-4-yl)indene-1,3-dione chloride Traditional Name: 2-(1-benzylpyridin-1-ium-4-yl)indane-1,3-quinone chloride Formula: C21H16ClNO2 MolecularWeight: 349.81024

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=CC=C(C=C2)C3C(=O)C4=CC=CC=C4C3=O.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=CC=C(C=C2)C3C(=O)C4=CC=CC=C4C3=O.[Cl-]

InChI

InChI=1S/C21H16NO2.ClH/c23-20-17-8-4-5-9-18(17)21(24)19(20)16-10-12-22(13-11-16)14-15-6-2-1-3-7-15;/h1-13,19H,14H2;1H/q+1;/p-1