N-hexadecylpyridin-1-ium-3-carboxamide bromide

Systemtic Name: N-hexadecylpyridin-1-ium-3-carboxamide bromide Openeye Name: N-hexadecylpyridin-1-ium-3-carboxamide bromide CAS Name: N-hexadecyl-3-pyridin-1-iumcarboxamide bromide IUPAC Name: N-hexadecylpyridin-1-ium-3-carboxamide bromide Traditional Name: N-cetylpyridin-1-ium-3-carboxamide bromide Formula: C22H39BrN2O MolecularWeight: 427.46186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC(=O)C1=C[NH+]=CC=C1.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCNC(=O)C1=C[NH+]=CC=C1.[Br-]

InChI

InChI=1S/C22H38N2O.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-24-22(25)21-17-16-18-23-20-21;/h16-18,20H,2-15,19H2,1H3,(H,24,25);1H