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

Systemtic Name: 1-[(4-nitrophenyl)methyl]pyridin-1-ium-3-carboxamide bromide Openeye Name: 1-[(4-nitrophenyl)methyl]pyridin-1-ium-3-carboxamide bromide CAS Name: 1-[(4-nitrophenyl)methyl]-3-pyridin-1-iumcarboxamide bromide IUPAC Name: 1-[(4-nitrophenyl)methyl]pyridin-1-ium-3-carboxamide bromide Traditional Name: 1-(4-nitrobenzyl)pyridin-1-ium-3-carboxamide bromide Formula: C13H12BrN3O3 MolecularWeight: 338.15668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11N3O3.BrH/c14-13(17)11-2-1-7-15(9-11)8-10-3-5-12(6-4-10)16(18)19;/h1-7,9H,8H2,(H-,14,17);1H