2-[3-[1-(phenylmethyl)pyridin-1-ium-3-yl]propyl]isoindole-1,3-dione

Systemtic Name: 2-[3-[1-(phenylmethyl)pyridin-1-ium-3-yl]propyl]isoindole-1,3-dione Openeye Name: 2-[3-(1-benzylpyridin-1-ium-3-yl)propyl]isoindoline-1,3-dione CAS Name: 2-[3-[1-(phenylmethyl)-3-pyridin-1-iumyl]propyl]isoindole-1,3-dione IUPAC Name: 2-[3-(1-benzylpyridin-1-ium-3-yl)propyl]isoindole-1,3-dione Traditional Name: 2-[3-(1-benzylpyridin-1-ium-3-yl)propyl]isoindoline-1,3-quinone Formula: C23H21N2O2+ MolecularWeight: 357.42504

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=CC=CC(=C2)CCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=CC=CC(=C2)CCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C23H21N2O2/c26-22-20-12-4-5-13-21(20)23(27)25(22)15-7-11-19-10-6-14-24(17-19)16-18-8-2-1-3-9-18/h1-6,8-10,12-14,17H,7,11,15-16H2/q+1