N-methyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]-N-octadecyl-aniline

Systemtic Name: N-methyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]-N-octadecyl-aniline Openeye Name: N-methyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)vinyl]-N-octadecyl-aniline CAS Name: N-methyl-4-[(E)-2-(1-methyl-4-pyridin-1-iumyl)ethenyl]-N-octadecylaniline IUPAC Name: N-methyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]-N-octadecylaniline Traditional Name: methyl-[4-[(E)-2-(1-methylpyridin-1-ium-4-yl)vinyl]phenyl]-stearyl-amine Formula: C33H53N2+ MolecularWeight: 477.78732

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(C)C1=CC=C(C=C1)C=CC2=CC=[N+](C=C2)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(C)C1=CC=C(C=C1)/C=C/C2=CC=[N+](C=C2)C

InChI

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