4-(2-ethenyl-1-octadecyl-pyridin-1-ium-3-yl)-N,N-dimethyl-aniline chloride

Systemtic Name: 4-(2-ethenyl-1-octadecyl-pyridin-1-ium-3-yl)-N,N-dimethyl-aniline chloride Openeye Name: N,N-dimethyl-4-(1-octadecyl-2-vinyl-pyridin-1-ium-3-yl)aniline chloride CAS Name: 4-(2-ethenyl-1-octadecyl-3-pyridin-1-iumyl)-N,N-dimethylaniline chloride IUPAC Name: 4-(2-ethenyl-1-octadecylpyridin-1-ium-3-yl)-N,N-dimethylaniline chloride Traditional Name: dimethyl-[4-(1-stearyl-2-vinyl-pyridin-1-ium-3-yl)phenyl]amine chloride Formula: C33H53ClN2 MolecularWeight: 513.24032

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+]1=CC=CC(=C1C=C)C2=CC=C(C=C2)N(C)C.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+]1=CC=CC(=C1C=C)C2=CC=C(C=C2)N(C)C.[Cl-]

InChI

InChI=1S/C33H53N2.ClH/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-28-35-29-22-23-32(33(35)6-2)30-24-26-31(27-25-30)34(3)4;/h6,22-27,29H,2,5,7-21,28H2,1,3-4H3;1H/q+1;/p-1