1-(1-phenylpentacosan-10-yl)pyridin-1-ium chloride

Systemtic Name: 1-(1-phenylpentacosan-10-yl)pyridin-1-ium chloride Openeye Name: 1-[1-(9-phenylnonyl)hexadecyl]pyridin-1-ium chloride CAS Name: 1-(1-phenylpentacosan-10-yl)pyridin-1-ium chloride IUPAC Name: 1-(1-phenylpentacosan-10-yl)pyridin-1-ium chloride Traditional Name: 1-[1-(9-phenylnonyl)hexadecyl]pyridin-1-ium chloride Formula: C36H60ClN MolecularWeight: 542.3213

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(CCCCCCCCCC1=CC=CC=C1)[N+]2=CC=CC=C2.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCC(CCCCCCCCCC1=CC=CC=C1)[N+]2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C36H60N.ClH/c1-2-3-4-5-6-7-8-9-10-11-14-17-24-31-36(37-33-26-20-27-34-37)32-25-18-15-12-13-16-21-28-35-29-22-19-23-30-35;/h19-20,22-23,26-27,29-30,33-34,36H,2-18,21,24-25,28,31-32H2,1H3;1H/q+1;/p-1