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

Systemtic Name: 4-[(E)-2-(1-hexylpyridin-1-ium-2-yl)ethenyl]-N,N-dimethyl-aniline hydroiodide Openeye Name: 4-[(E)-2-(1-hexylpyridin-1-ium-2-yl)vinyl]-N,N-dimethyl-aniline hydroiodide CAS Name: 4-[(E)-2-(1-hexyl-2-pyridin-1-iumyl)ethenyl]-N,N-dimethylaniline hydroiodide IUPAC Name: 4-[(E)-2-(1-hexylpyridin-1-ium-2-yl)ethenyl]-N,N-dimethylaniline hydroiodide Traditional Name: [4-[(E)-2-(1-hexylpyridin-1-ium-2-yl)vinyl]phenyl]-dimethyl-amine hydroiodide Formula: C21H30IN2+ MolecularWeight: 437.38077

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[N+]1=CC=CC=C1C=CC2=CC=C(C=C2)N(C)C.I

Isomeric SMILES

CCCCCC[N+]1=CC=CC=C1/C=C/C2=CC=C(C=C2)N(C)C.I

InChI

InChI=1S/C21H29N2.HI/c1-4-5-6-8-17-23-18-9-7-10-21(23)16-13-19-11-14-20(15-12-19)22(2)3;/h7,9-16,18H,4-6,8,17H2,1-3H3;1H/q+1;