4-[(E)-2-(1-methylpyridin-1-ium-4-yl)heptadec-1-enyl]-3-pentadecyl-aniline iodide

Systemtic Name: 4-[(E)-2-(1-methylpyridin-1-ium-4-yl)heptadec-1-enyl]-3-pentadecyl-aniline iodide Openeye Name: 4-[(E)-2-(1-methylpyridin-1-ium-4-yl)heptadec-1-enyl]-3-pentadecyl-aniline iodide CAS Name: 4-[(E)-2-(1-methyl-4-pyridin-1-iumyl)heptadec-1-enyl]-3-pentadecylaniline iodide IUPAC Name: 4-[(E)-2-(1-methylpyridin-1-ium-4-yl)heptadec-1-enyl]-3-pentadecylaniline iodide Traditional Name: [4-[(E)-2-(1-methylpyridin-1-ium-4-yl)heptadec-1-enyl]-3-pentadecyl-phenyl]amine iodide Formula: C44H75IN2 MolecularWeight: 758.98417

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=C(C=CC(=C1)N)C=C(CCCCCCCCCCCCCCC)C2=CC=[N+](C=C2)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCC1=C(C=CC(=C1)N)/C=C(\CCCCCCCCCCCCCCC)/C2=CC=[N+](C=C2)C.[I-]

InChI

InChI=1S/C44H74N2.HI/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-41(40-34-36-46(3)37-35-40)38-43-32-33-44(45)39-42(43)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;/h32-39,45H,4-31H2,1-3H3;1H