N,N-dimethyl-4-[(E)-2-[1-(3-methylbutyl)pyridin-1-ium-2-yl]ethenyl]aniline iodide

Systemtic Name: N,N-dimethyl-4-[(E)-2-[1-(3-methylbutyl)pyridin-1-ium-2-yl]ethenyl]aniline iodide Openeye Name: 4-[(E)-2-(1-isopentylpyridin-1-ium-2-yl)vinyl]-N,N-dimethyl-aniline iodide CAS Name: N,N-dimethyl-4-[(E)-2-[1-(3-methylbutyl)-2-pyridin-1-iumyl]ethenyl]aniline iodide IUPAC Name: N,N-dimethyl-4-[(E)-2-[1-(3-methylbutyl)pyridin-1-ium-2-yl]ethenyl]aniline iodide Traditional Name: [4-[(E)-2-(1-isoamylpyridin-1-ium-2-yl)vinyl]phenyl]-dimethyl-amine iodide Formula: C20H27IN2 MolecularWeight: 422.34625

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N2.HI/c1-17(2)14-16-22-15-6-5-7-20(22)13-10-18-8-11-19(12-9-18)21(3)4;/h5-13,15,17H,14,16H2,1-4H3;1H/q+1;/p-1