1-hexylpyridin-1-ium-3-carboxamide bromide

Systemtic Name: 1-hexylpyridin-1-ium-3-carboxamide bromide Openeye Name: 1-hexylpyridin-1-ium-3-carboxamide bromide CAS Name: 1-hexyl-3-pyridin-1-iumcarboxamide bromide IUPAC Name: 1-hexylpyridin-1-ium-3-carboxamide bromide Traditional Name: 1-hexylpyridin-1-ium-3-carboxamide bromide Formula: C12H19BrN2O MolecularWeight: 287.19606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N2O.BrH/c1-2-3-4-5-8-14-9-6-7-11(10-14)12(13)15;/h6-7,9-10H,2-5,8H2,1H3,(H-,13,15);1H