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

Systemtic Name: 4-[(E)-2-(1-hexadecylpyridin-1-ium-4-yl)ethenyl]-N,N-dimethyl-aniline Openeye Name: 4-[(E)-2-(1-hexadecylpyridin-1-ium-4-yl)vinyl]-N,N-dimethyl-aniline CAS Name: 4-[(E)-2-(1-hexadecyl-4-pyridin-1-iumyl)ethenyl]-N,N-dimethylaniline IUPAC Name: 4-[(E)-2-(1-hexadecylpyridin-1-ium-4-yl)ethenyl]-N,N-dimethylaniline Traditional Name: [4-[(E)-2-(1-cetylpyridin-1-ium-4-yl)vinyl]phenyl]-dimethyl-amine Formula: C31H49N2+ MolecularWeight: 449.73416

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+]1=CC=C(C=C1)C=CC2=CC=C(C=C2)N(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+]1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)N(C)C

InChI

InChI=1S/C31H49N2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26-33-27-24-30(25-28-33)19-18-29-20-22-31(23-21-29)32(2)3/h18-25,27-28H,4-17,26H2,1-3H3/q+1