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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+]1=CC=C(C=C1)C=CC2=CC=C(C=C2)N(C)C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

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

InChI

InChI=1S/C33H53N2.ClHO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-28-35-29-26-32(27-30-35)21-20-31-22-24-33(25-23-31)34(2)3;2-1(3,4)5/h20-27,29-30H,4-19,28H2,1-3H3;(H,2,3,4,5)/q+1;/p-1