[1-[(4-nitrophenyl)methyl]pyridin-1-ium-3-yl] ethanoate bromide

Systemtic Name: [1-[(4-nitrophenyl)methyl]pyridin-1-ium-3-yl] ethanoate bromide Openeye Name: [1-[(4-nitrophenyl)methyl]pyridin-1-ium-3-yl] acetate bromide CAS Name: acetic acid [1-[(4-nitrophenyl)methyl]-3-pyridin-1-iumyl] ester bromide IUPAC Name: [1-[(4-nitrophenyl)methyl]pyridin-1-ium-3-yl] acetate bromide Traditional Name: acetic acid [1-(4-nitrobenzyl)pyridin-1-ium-3-yl] ester bromide Formula: C14H13BrN2O4 MolecularWeight: 353.16802

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C[N+](=CC=C1)CC2=CC=C(C=C2)[N+](=O)[O-].[Br-]

Isomeric SMILES

CC(=O)OC1=C[N+](=CC=C1)CC2=CC=C(C=C2)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C14H13N2O4.BrH/c1-11(17)20-14-3-2-8-15(10-14)9-12-4-6-13(7-5-12)16(18)19;/h2-8,10H,9H2,1H3;1H/q+1;/p-1