1-[(4-nitrophenyl)methyl]-N-pyridin-1-ium-1-yl-pyrazin-2-imine

Systemtic Name: 1-[(4-nitrophenyl)methyl]-N-pyridin-1-ium-1-yl-pyrazin-2-imine Openeye Name: 1-[(4-nitrophenyl)methyl]-N-pyridin-1-ium-1-yl-pyrazin-2-imine CAS Name: 1-[(4-nitrophenyl)methyl]-N-(1-pyridin-1-iumyl)-2-pyrazinimine IUPAC Name: 1-[(4-nitrophenyl)methyl]-N-pyridin-1-ium-1-ylpyrazin-2-imine Traditional Name: (E)-[1-(4-nitrobenzyl)pyrazin-2-ylidene]-pyridin-1-ium-1-yl-amine Formula: C16H14N5O2+ MolecularWeight: 308.31466

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)N=C2C=NC=CN2CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=[N+](C=C1)/N=C/2\C=NC=CN2CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H14N5O2/c22-21(23)15-6-4-14(5-7-15)13-19-11-8-17-12-16(19)18-20-9-2-1-3-10-20/h1-12H,13H2/q+1/b18-16+