1-heptylpyridin-1-ium-3-carboxamide chloride

Systemtic Name: 1-heptylpyridin-1-ium-3-carboxamide chloride Openeye Name: 1-heptylpyridin-1-ium-3-carboxamide chloride CAS Name: 1-heptyl-3-pyridin-1-iumcarboxamide chloride IUPAC Name: 1-heptylpyridin-1-ium-3-carboxamide chloride Traditional Name: 1-heptylpyridin-1-ium-3-carboxamide chloride Formula: C13H21ClN2O MolecularWeight: 256.77164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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