N-[(4-nitrophenyl)methyl]-N-pyridin-1-ium-1-yl-pyrimidin-2-amine

Systemtic Name: N-[(4-nitrophenyl)methyl]-N-pyridin-1-ium-1-yl-pyrimidin-2-amine Openeye Name: N-[(4-nitrophenyl)methyl]-N-pyridin-1-ium-1-yl-pyrimidin-2-amine CAS Name: N-[(4-nitrophenyl)methyl]-N-(1-pyridin-1-iumyl)-2-pyrimidinamine IUPAC Name: N-[(4-nitrophenyl)methyl]-N-pyridin-1-ium-1-ylpyrimidin-2-amine Traditional Name: (4-nitrobenzyl)-pyridin-1-ium-1-yl-(2-pyrimidyl)amine Formula: C16H14N5O2+ MolecularWeight: 308.31466

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)N(CC2=CC=C(C=C2)[N+](=O)[O-])C3=NC=CC=N3

Isomeric SMILES

C1=CC=[N+](C=C1)N(CC2=CC=C(C=C2)[N+](=O)[O-])C3=NC=CC=N3

InChI

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