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

Systemtic Name: 1-butyl-4-[(2-nitrophenyl)methyl]pyridin-1-ium bromide Openeye Name: 1-butyl-4-[(2-nitrophenyl)methyl]pyridin-1-ium bromide CAS Name: 1-butyl-4-[(2-nitrophenyl)methyl]pyridin-1-ium bromide IUPAC Name: 1-butyl-4-[(2-nitrophenyl)methyl]pyridin-1-ium bromide Traditional Name: 1-butyl-4-(2-nitrobenzyl)pyridin-1-ium bromide Formula: C16H19BrN2O2 MolecularWeight: 351.23826

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=CC=C(C=C1)CC2=CC=CC=C2[N+](=O)[O-].[Br-]

Isomeric SMILES

CCCC[N+]1=CC=C(C=C1)CC2=CC=CC=C2[N+](=O)[O-].[Br-]

InChI

InChI=1S/C16H19N2O2.BrH/c1-2-3-10-17-11-8-14(9-12-17)13-15-6-4-5-7-16(15)18(19)20;/h4-9,11-12H,2-3,10,13H2,1H3;1H/q+1;/p-1