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

Systemtic Name: 2-[1-(phenylmethyl)pyridin-1-ium-4-yl]indene-1,3-dione Openeye Name: 2-(1-benzylpyridin-1-ium-4-yl)indane-1,3-dione CAS Name: 2-[1-(phenylmethyl)-4-pyridin-1-iumyl]indene-1,3-dione IUPAC Name: 2-(1-benzylpyridin-1-ium-4-yl)indene-1,3-dione Traditional Name: 2-(1-benzylpyridin-1-ium-4-yl)indane-1,3-quinone Formula: C21H16NO2+ MolecularWeight: 314.35724

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H16NO2/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/q+1