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

Systemtic Name: N-[(4-nitrophenyl)methyl]-N-pyridin-1-ium-1-yl-pyridin-2-amine bromide Openeye Name: N-[(4-nitrophenyl)methyl]-N-pyridin-1-ium-1-yl-pyridin-2-amine bromide CAS Name: N-[(4-nitrophenyl)methyl]-N-(1-pyridin-1-iumyl)-2-pyridinamine bromide IUPAC Name: N-[(4-nitrophenyl)methyl]-N-pyridin-1-ium-1-ylpyridin-2-amine bromide Traditional Name: (4-nitrobenzyl)-pyridin-1-ium-1-yl-(2-pyridyl)amine bromide Formula: C17H15BrN4O2 MolecularWeight: 387.2306

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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=CC=CC=N3.[Br-]

Isomeric SMILES

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

InChI

InChI=1S/C17H15N4O2.BrH/c22-21(23)16-9-7-15(8-10-16)14-20(17-6-2-3-11-18-17)19-12-4-1-5-13-19;/h1-13H,14H2;1H/q+1;/p-1