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

Systemtic Name: 1-[(3-cyanophenyl)methyl]pyridin-1-ium-3-carboxamide bromide Openeye Name: 1-[(3-cyanophenyl)methyl]pyridin-1-ium-3-carboxamide bromide CAS Name: 1-[(3-cyanophenyl)methyl]-3-pyridin-1-iumcarboxamide bromide IUPAC Name: 1-[(3-cyanophenyl)methyl]pyridin-1-ium-3-carboxamide bromide Traditional Name: 1-(3-cyanobenzyl)pyridin-1-ium-3-carboxamide bromide Formula: C14H12BrN3O MolecularWeight: 318.16858

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C[N+]2=CC=CC(=C2)C(=O)N)C#N.[Br-]

Isomeric SMILES

C1=CC(=CC(=C1)C[N+]2=CC=CC(=C2)C(=O)N)C#N.[Br-]

InChI

InChI=1S/C14H11N3O.BrH/c15-8-11-3-1-4-12(7-11)9-17-6-2-5-13(10-17)14(16)18;/h1-7,10H,9H2,(H-,16,18);1H