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

Systemtic Name: 1-[(4-cyanophenyl)methyl]pyridin-1-ium-3-carboxamide bromide Openeye Name: 1-[(4-cyanophenyl)methyl]pyridin-1-ium-3-carboxamide bromide CAS Name: 1-[(4-cyanophenyl)methyl]-3-pyridin-1-iumcarboxamide bromide IUPAC Name: 1-[(4-cyanophenyl)methyl]pyridin-1-ium-3-carboxamide bromide Traditional Name: 1-(4-cyanobenzyl)pyridin-1-ium-3-carboxamide bromide Formula: C14H12BrN3O MolecularWeight: 319.161989

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC(=C[15N+](=C1)CC2=CC=C(C=C2)C#N)C(=O)N.[Br-]

InChI

InChI=1S/C14H11N3O.BrH/c15-8-11-3-5-12(6-4-11)9-17-7-1-2-13(10-17)14(16)18;/h1-7,10H,9H2,(H-,16,18);1H/i17+1;