N,N-dimethyl-4-[(E)-2-(1-octadecylpyridin-1-ium-2-yl)ethenyl]aniline perchlorate

Systemtic Name: N,N-dimethyl-4-[(E)-2-(1-octadecylpyridin-1-ium-2-yl)ethenyl]aniline perchlorate Openeye Name: N,N-dimethyl-4-[(E)-2-(1-octadecylpyridin-1-ium-2-yl)vinyl]aniline perchlorate CAS Name: N,N-dimethyl-4-[(E)-2-(1-octadecyl-2-pyridin-1-iumyl)ethenyl]aniline perchlorate IUPAC Name: N,N-dimethyl-4-[(E)-2-(1-octadecylpyridin-1-ium-2-yl)ethenyl]aniline perchlorate Traditional Name: dimethyl-[4-[(E)-2-(1-stearylpyridin-1-ium-2-yl)vinyl]phenyl]amine perchlorate Formula: C33H53ClN2O4 MolecularWeight: 577.23792

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+]1=CC=CC=C1C=CC2=CC=C(C=C2)N(C)C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+]1=CC=CC=C1/C=C/C2=CC=C(C=C2)N(C)C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C33H53N2.ClHO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-29-35-30-21-19-22-33(35)28-25-31-23-26-32(27-24-31)34(2)3;2-1(3,4)5/h19,21-28,30H,4-18,20,29H2,1-3H3;(H,2,3,4,5)/q+1;/p-1