1-hexadecylpyridin-1-ium; hydride; chloride

Systemtic Name: 1-hexadecylpyridin-1-ium; hydride; chloride Openeye Name: 1-hexadecylpyridin-1-ium; hydride; chloride CAS Name: 1-hexadecylpyridin-1-ium; hydride; chloride IUPAC Name: 1-hexadecylpyridin-1-ium; hydride; chloride Traditional Name: 1-cetylpyridin-1-ium; hydride; chloride Formula: C42H77ClN2 MolecularWeight: 645.52718

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Descriptors Computed from Structure

Canonical SMILES:

[H-].CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1.CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1.[Cl-]

Isomeric SMILES

[H-].CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1.CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1.[Cl-]

InChI

InChI=1S/2C21H38N.ClH.H/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22;;/h2*15,17-18,20-21H,2-14,16,19H2,1H3;1H;/q2*+1;;-1/p-1