[1-[(4-nitrophenyl)methyl]pyridin-1-ium-3-yl] N,N-dimethylcarbamate bromide

Systemtic Name: [1-[(4-nitrophenyl)methyl]pyridin-1-ium-3-yl] N,N-dimethylcarbamate bromide Openeye Name: [1-[(4-nitrophenyl)methyl]pyridin-1-ium-3-yl] N,N-dimethylcarbamate bromide CAS Name: N,N-dimethylcarbamic acid [1-[(4-nitrophenyl)methyl]-3-pyridin-1-iumyl] ester bromide IUPAC Name: [1-[(4-nitrophenyl)methyl]pyridin-1-ium-3-yl] N,N-dimethylcarbamate bromide Traditional Name: N,N-dimethylcarbamic acid [1-(4-nitrobenzyl)pyridin-1-ium-3-yl] ester bromide Formula: C15H16BrN3O4 MolecularWeight: 382.20924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N3O4.BrH/c1-16(2)15(19)22-14-4-3-9-17(11-14)10-12-5-7-13(8-6-12)18(20)21;/h3-9,11H,10H2,1-2H3;1H/q+1;/p-1