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

Systemtic Name: 1-[(4-nitrophenyl)methyl]pyridin-1-ium-2-amine bromide Openeye Name: 1-[(4-nitrophenyl)methyl]pyridin-1-ium-2-amine bromide CAS Name: 1-[(4-nitrophenyl)methyl]-2-pyridin-1-iumamine bromide IUPAC Name: 1-[(4-nitrophenyl)methyl]pyridin-1-ium-2-amine bromide Traditional Name: [1-(4-nitrobenzyl)pyridin-1-ium-2-yl]amine bromide Formula: C12H12BrN3O2 MolecularWeight: 310.14658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11N3O2.BrH/c13-12-3-1-2-8-14(12)9-10-4-6-11(7-5-10)15(16)17;/h1-8,13H,9H2;1H