1-(4-pentadecylphenyl)-2-pyridin-1-ium-1-yl-ethanone

Systemtic Name: 1-(4-pentadecylphenyl)-2-pyridin-1-ium-1-yl-ethanone Openeye Name: 1-(4-pentadecylphenyl)-2-pyridin-1-ium-1-yl-ethanone CAS Name: 1-(4-pentadecylphenyl)-2-(1-pyridin-1-iumyl)ethanone IUPAC Name: 1-(4-pentadecylphenyl)-2-pyridin-1-ium-1-ylethanone Traditional Name: 1-(4-pentadecylphenyl)-2-pyridin-1-ium-1-yl-ethanone Formula: C28H42NO+ MolecularWeight: 408.63918

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=CC=C(C=C1)C(=O)C[N+]2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCC1=CC=C(C=C1)C(=O)C[N+]2=CC=CC=C2

InChI

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