1-[1-(phenylmethyl)pyridin-1-ium-3-yl]hexadecan-1-one

Systemtic Name: 1-[1-(phenylmethyl)pyridin-1-ium-3-yl]hexadecan-1-one Openeye Name: 1-(1-benzylpyridin-1-ium-3-yl)hexadecan-1-one CAS Name: 1-[1-(phenylmethyl)-3-pyridin-1-iumyl]-1-hexadecanone IUPAC Name: 1-(1-benzylpyridin-1-ium-3-yl)hexadecan-1-one Traditional Name: 1-(1-benzylpyridin-1-ium-3-yl)hexadecan-1-one Formula: C28H42NO+ MolecularWeight: 408.63918

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)C1=C[N+](=CC=C1)CC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)C1=C[N+](=CC=C1)CC2=CC=CC=C2

InChI

InChI=1S/C28H42NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-22-28(30)27-21-18-23-29(25-27)24-26-19-15-14-16-20-26/h14-16,18-21,23,25H,2-13,17,22,24H2,1H3/q+1