2-(1-adamantyl)-1-butyl-4,6-diphenyl-pyridin-1-ium perchlorate

Systemtic Name: 2-(1-adamantyl)-1-butyl-4,6-diphenyl-pyridin-1-ium perchlorate Openeye Name: 2-(1-adamantyl)-1-butyl-4,6-diphenyl-pyridin-1-ium perchlorate CAS Name: 2-(1-adamantyl)-1-butyl-4,6-diphenylpyridin-1-ium perchlorate IUPAC Name: 2-(1-adamantyl)-1-butyl-4,6-diphenylpyridin-1-ium perchlorate Traditional Name: 2-(1-adamantyl)-1-butyl-4,6-diphenyl-pyridin-1-ium perchlorate Formula: C31H36ClNO4 MolecularWeight: 522.07484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=C(C=C(C=C1C23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5)C6=CC=CC=C6.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CCCC[N+]1=C(C=C(C=C1C23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5)C6=CC=CC=C6.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C31H36N.ClHO4/c1-2-3-14-32-29(27-12-8-5-9-13-27)18-28(26-10-6-4-7-11-26)19-30(32)31-20-23-15-24(21-31)17-25(16-23)22-31;2-1(3,4)5/h4-13,18-19,23-25H,2-3,14-17,20-22H2,1H3;(H,2,3,4,5)/q+1;/p-1