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

Systemtic Name: 3-methyl-1-[(4-nitrophenyl)methyl]pyridin-1-ium bromide Openeye Name: 3-methyl-1-[(4-nitrophenyl)methyl]pyridin-1-ium bromide CAS Name: 3-methyl-1-[(4-nitrophenyl)methyl]pyridin-1-ium bromide IUPAC Name: 3-methyl-1-[(4-nitrophenyl)methyl]pyridin-1-ium bromide Traditional Name: 3-methyl-1-(4-nitrobenzyl)pyridin-1-ium bromide Formula: C13H13BrN2O2 MolecularWeight: 309.15852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC=C1)CC2=CC=C(C=C2)[N+](=O)[O-].[Br-]

Isomeric SMILES

CC1=C[N+](=CC=C1)CC2=CC=C(C=C2)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C13H13N2O2.BrH/c1-11-3-2-8-14(9-11)10-12-4-6-13(7-5-12)15(16)17;/h2-9H,10H2,1H3;1H/q+1;/p-1