1-pentylpyridin-1-ium-4-carboxamide bromide

Systemtic Name: 1-pentylpyridin-1-ium-4-carboxamide bromide Openeye Name: 1-pentylpyridin-1-ium-4-carboxamide bromide CAS Name: 1-pentyl-4-pyridin-1-iumcarboxamide bromide IUPAC Name: 1-pentylpyridin-1-ium-4-carboxamide bromide Traditional Name: 1-amylpyridin-1-ium-4-carboxamide bromide Formula: C11H17BrN2O MolecularWeight: 273.16948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H16N2O.BrH/c1-2-3-4-7-13-8-5-10(6-9-13)11(12)14;/h5-6,8-9H,2-4,7H2,1H3,(H-,12,14);1H