3,5-dimethyl-1-(phenylmethyl)pyridin-1-ium; octadecanoate

Systemtic Name: 3,5-dimethyl-1-(phenylmethyl)pyridin-1-ium; octadecanoate Openeye Name: 1-benzyl-3,5-dimethyl-pyridin-1-ium; octadecanoate CAS Name: 3,5-dimethyl-1-(phenylmethyl)pyridin-1-ium; octadecanoate IUPAC Name: 1-benzyl-3,5-dimethylpyridin-1-ium; octadecanoate Traditional Name: 1-benzyl-3,5-dimethyl-pyridin-1-ium; stearate Formula: C32H51NO2 MolecularWeight: 481.75284

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)[O-].CC1=CC(=C[N+](=C1)CC2=CC=CC=C2)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)[O-].CC1=CC(=C[N+](=C1)CC2=CC=CC=C2)C

InChI

InChI=1S/C18H36O2.C14H16N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-12-8-13(2)10-15(9-12)11-14-6-4-3-5-7-14/h2-17H2,1H3,(H,19,20);3-10H,11H2,1-2H3/q;+1/p-1