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

Systemtic Name: 4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]-N-octadecyl-aniline Openeye Name: 4-[(E)-2-(1-methylpyridin-1-ium-4-yl)vinyl]-N-octadecyl-aniline CAS Name: 4-[(E)-2-(1-methyl-4-pyridin-1-iumyl)ethenyl]-N-octadecylaniline IUPAC Name: 4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]-N-octadecylaniline Traditional Name: [4-[(E)-2-(1-methylpyridin-1-ium-4-yl)vinyl]phenyl]-stearyl-amine Formula: C32H51N2+ MolecularWeight: 463.76074

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C=CC2=CC=[N+](C=C2)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC1=CC=C(C=C1)/C=C/C2=CC=[N+](C=C2)C

InChI

InChI=1S/C32H50N2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27-33-32-23-21-30(22-24-32)19-20-31-25-28-34(2)29-26-31/h19-26,28-29H,3-18,27H2,1-2H3/p+1