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

Systemtic Name: [1-[(4-nitrophenyl)methyl]pyridin-1-ium-2-yl]methanol bromide Openeye Name: [1-[(4-nitrophenyl)methyl]pyridin-1-ium-2-yl]methanol bromide CAS Name: [1-[(4-nitrophenyl)methyl]-2-pyridin-1-iumyl]methanol bromide IUPAC Name: [1-[(4-nitrophenyl)methyl]pyridin-1-ium-2-yl]methanol bromide Traditional Name: [1-(4-nitrobenzyl)pyridin-1-ium-2-yl]methanol bromide Formula: C13H13BrN2O3 MolecularWeight: 325.15792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N2O3.BrH/c16-10-13-3-1-2-8-14(13)9-11-4-6-12(7-5-11)15(17)18;/h1-8,16H,9-10H2;1H/q+1;/p-1