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

Systemtic Name: 4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]-N,N-dipentyl-aniline iodide Openeye Name: 4-[(E)-2-(1-methylpyridin-1-ium-4-yl)vinyl]-N,N-dipentyl-aniline iodide CAS Name: 4-[(E)-2-(1-methyl-4-pyridin-1-iumyl)ethenyl]-N,N-dipentylaniline iodide IUPAC Name: 4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]-N,N-dipentylaniline iodide Traditional Name: diamyl-[4-[(E)-2-(1-methylpyridin-1-ium-4-yl)vinyl]phenyl]amine iodide Formula: C24H35IN2 MolecularWeight: 478.45257

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CCCCC)C1=CC=C(C=C1)C=CC2=CC=[N+](C=C2)C.[I-]

Isomeric SMILES

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

InChI

InChI=1S/C24H35N2.HI/c1-4-6-8-18-26(19-9-7-5-2)24-14-12-22(13-15-24)10-11-23-16-20-25(3)21-17-23;/h10-17,20-21H,4-9,18-19H2,1-3H3;1H/q+1;/p-1