4-azulen-1-yl-1-tert-butyl-2,6-diphenyl-pyridin-1-ium perchlorate

Systemtic Name: 4-azulen-1-yl-1-tert-butyl-2,6-diphenyl-pyridin-1-ium perchlorate Openeye Name: 4-azulen-1-yl-1-tert-butyl-2,6-diphenyl-pyridin-1-ium perchlorate CAS Name: 4-(1-azulenyl)-1-tert-butyl-2,6-diphenylpyridin-1-ium perchlorate IUPAC Name: 4-azulen-1-yl-1-tert-butyl-2,6-diphenylpyridin-1-ium perchlorate Traditional Name: 4-azulen-1-yl-1-tert-butyl-2,6-diphenyl-pyridin-1-ium perchlorate Formula: C31H28ClNO4 MolecularWeight: 514.01132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[N+]1=C(C=C(C=C1C2=CC=CC=C2)C3=C4C=CC=CC=C4C=C3)C5=CC=CC=C5.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC(C)(C)[N+]1=C(C=C(C=C1C2=CC=CC=C2)C3=C4C=CC=CC=C4C=C3)C5=CC=CC=C5.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C31H28N.ClHO4/c1-31(2,3)32-29(24-14-8-4-9-15-24)21-26(22-30(32)25-16-10-5-11-17-25)28-20-19-23-13-7-6-12-18-27(23)28;2-1(3,4)5/h4-22H,1-3H3;(H,2,3,4,5)/q+1;/p-1