(4-nitrophenyl) 4-(pyridin-1-ium-1-ylmethyl)benzoate bromide

Systemtic Name: (4-nitrophenyl) 4-(pyridin-1-ium-1-ylmethyl)benzoate bromide Openeye Name: (4-nitrophenyl) 4-(pyridin-1-ium-1-ylmethyl)benzoate bromide CAS Name: 4-(1-pyridin-1-iumylmethyl)benzoic acid (4-nitrophenyl) ester bromide IUPAC Name: (4-nitrophenyl) 4-(pyridin-1-ium-1-ylmethyl)benzoate bromide Traditional Name: 4-(pyridin-1-ium-1-ylmethyl)benzoic acid (4-nitrophenyl) ester bromide Formula: C19H15BrN2O4 MolecularWeight: 415.2374

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)CC2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-].[Br-]

Isomeric SMILES

C1=CC=[N+](C=C1)CC2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C19H15N2O4.BrH/c22-19(25-18-10-8-17(9-11-18)21(23)24)16-6-4-15(5-7-16)14-20-12-2-1-3-13-20;/h1-13H,14H2;1H/q+1;/p-1