1-phenacyl-N-(phenylmethyl)pyridin-1-ium-3-carboxamide bromide

Systemtic Name: 1-phenacyl-N-(phenylmethyl)pyridin-1-ium-3-carboxamide bromide Openeye Name: N-benzyl-1-phenacyl-pyridin-1-ium-3-carboxamide bromide CAS Name: 1-phenacyl-N-(phenylmethyl)-3-pyridin-1-iumcarboxamide bromide IUPAC Name: N-benzyl-1-phenacylpyridin-1-ium-3-carboxamide bromide Traditional Name: N-benzyl-1-phenacyl-pyridin-1-ium-3-carboxamide bromide Formula: C21H19BrN2O2 MolecularWeight: 411.29176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O2.BrH/c24-20(18-10-5-2-6-11-18)16-23-13-7-12-19(15-23)21(25)22-14-17-8-3-1-4-9-17;/h1-13,15H,14,16H2;1H