1-[2-(4-nitrophenyl)ethyl]-3-pyridin-2-yl-pyridin-1-ium

Systemtic Name: 1-[2-(4-nitrophenyl)ethyl]-3-pyridin-2-yl-pyridin-1-ium Openeye Name: 1-[2-(4-nitrophenyl)ethyl]-3-(2-pyridyl)pyridin-1-ium CAS Name: 1-[2-(4-nitrophenyl)ethyl]-3-(2-pyridinyl)pyridin-1-ium IUPAC Name: 1-[2-(4-nitrophenyl)ethyl]-3-pyridin-2-ylpyridin-1-ium Traditional Name: 1-[2-(4-nitrophenyl)ethyl]-3-(2-pyridyl)pyridin-1-ium Formula: C18H16N3O2+ MolecularWeight: 306.33854

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C2=C[N+](=CC=C2)CCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=NC(=C1)C2=C[N+](=CC=C2)CCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H16N3O2/c22-21(23)17-8-6-15(7-9-17)10-13-20-12-3-4-16(14-20)18-5-1-2-11-19-18/h1-9,11-12,14H,10,13H2/q+1