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

Systemtic Name: 4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]-N,N-dioctadecyl-aniline Openeye Name: 4-[(E)-2-(1-methylpyridin-1-ium-4-yl)vinyl]-N,N-dioctadecyl-aniline CAS Name: 4-[(E)-2-(1-methyl-4-pyridin-1-iumyl)ethenyl]-N,N-dioctadecylaniline IUPAC Name: 4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]-N,N-dioctadecylaniline Traditional Name: [4-[(E)-2-(1-methylpyridin-1-ium-4-yl)vinyl]phenyl]-distearyl-amine Formula: C50H87N2+ MolecularWeight: 716.23918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C50H87N2/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-44-52(50-40-38-48(39-41-50)36-37-49-42-46-51(3)47-43-49)45-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h36-43,46-47H,4-35,44-45H2,1-3H3/q+1