1-hexadecylpyridin-1-ium-3-carbonitrile

Systemtic Name: 1-hexadecylpyridin-1-ium-3-carbonitrile Openeye Name: 1-hexadecylpyridin-1-ium-3-carbonitrile CAS Name: 1-hexadecyl-3-pyridin-1-iumcarbonitrile IUPAC Name: 1-hexadecylpyridin-1-ium-3-carbonitrile Traditional Name: 1-cetylpyridin-1-ium-3-carbonitrile Formula: C22H37N2+ MolecularWeight: 329.54258

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+]1=CC=CC(=C1)C#N

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+]1=CC=CC(=C1)C#N

InChI

InChI=1S/C22H37N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-24-19-16-17-22(20-23)21-24/h16-17,19,21H,2-15,18H2,1H3/q+1