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

Systemtic Name: N,N-dibutyl-4-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]aniline iodide Openeye Name: N,N-dibutyl-4-[(E)-2-(1-methylpyridin-1-ium-2-yl)vinyl]aniline iodide CAS Name: N,N-dibutyl-4-[(E)-2-(1-methyl-2-pyridin-1-iumyl)ethenyl]aniline iodide IUPAC Name: N,N-dibutyl-4-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]aniline iodide Traditional Name: dibutyl-[4-[(E)-2-(1-methylpyridin-1-ium-2-yl)vinyl]phenyl]amine iodide Formula: C22H31IN2 MolecularWeight: 450.39941

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C1=CC=C(C=C1)C=CC2=CC=CC=[N+]2C.[I-]

Isomeric SMILES

CCCCN(CCCC)C1=CC=C(C=C1)/C=C/C2=CC=CC=[N+]2C.[I-]

InChI

InChI=1S/C22H31N2.HI/c1-4-6-18-24(19-7-5-2)22-15-12-20(13-16-22)11-14-21-10-8-9-17-23(21)3;/h8-17H,4-7,18-19H2,1-3H3;1H/q+1;/p-1