1-heptylpyridin-1-ium-4-carboxamide bromide

Systemtic Name: 1-heptylpyridin-1-ium-4-carboxamide bromide Openeye Name: 1-heptylpyridin-1-ium-4-carboxamide bromide CAS Name: 1-heptyl-4-pyridin-1-iumcarboxamide bromide IUPAC Name: 1-heptylpyridin-1-ium-4-carboxamide bromide Traditional Name: 1-heptylpyridin-1-ium-4-carboxamide bromide Formula: C13H21BrN2O MolecularWeight: 301.22264

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC[N+]1=CC=C(C=C1)C(=O)N.[Br-]

Isomeric SMILES

CCCCCCC[N+]1=CC=C(C=C1)C(=O)N.[Br-]

InChI

InChI=1S/C13H20N2O.BrH/c1-2-3-4-5-6-9-15-10-7-12(8-11-15)13(14)16;/h7-8,10-11H,2-6,9H2,1H3,(H-,14,16);1H