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

Systemtic Name: 1-[(4-nitrophenyl)methyl]-N-phenyl-pyridin-1-ium-3-carboxamide bromide Openeye Name: 1-[(4-nitrophenyl)methyl]-N-phenyl-pyridin-1-ium-3-carboxamide bromide CAS Name: 1-[(4-nitrophenyl)methyl]-N-phenyl-3-pyridin-1-iumcarboxamide bromide IUPAC Name: 1-[(4-nitrophenyl)methyl]-N-phenylpyridin-1-ium-3-carboxamide bromide Traditional Name: 1-(4-nitrobenzyl)-N-phenyl-pyridin-1-ium-3-carboxamide bromide Formula: C19H16BrN3O3 MolecularWeight: 414.25264

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)C2=C[N+](=CC=C2)CC3=CC=C(C=C3)[N+](=O)[O-].[Br-]

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)C2=C[N+](=CC=C2)CC3=CC=C(C=C3)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C19H15N3O3.BrH/c23-19(20-17-6-2-1-3-7-17)16-5-4-12-21(14-16)13-15-8-10-18(11-9-15)22(24)25;/h1-12,14H,13H2;1H