1-(3-phenylpropyl)pyridin-1-ium-3-carboxamide bromide

Systemtic Name: 1-(3-phenylpropyl)pyridin-1-ium-3-carboxamide bromide Openeye Name: 1-(3-phenylpropyl)pyridin-1-ium-3-carboxamide bromide CAS Name: 1-(3-phenylpropyl)-3-pyridin-1-iumcarboxamide bromide IUPAC Name: 1-(3-phenylpropyl)pyridin-1-ium-3-carboxamide bromide Traditional Name: 1-(3-phenylpropyl)pyridin-1-ium-3-carboxamide bromide Formula: C15H17BrN2O MolecularWeight: 321.21228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N2O.BrH/c16-15(18)14-9-5-11-17(12-14)10-4-8-13-6-2-1-3-7-13;/h1-3,5-7,9,11-12H,4,8,10H2,(H-,16,18);1H