1-butyl-2,6-diphenyl-4-(4,6,8-trimethylazulen-1-yl)pyridin-1-ium perchlorate

Systemtic Name: 1-butyl-2,6-diphenyl-4-(4,6,8-trimethylazulen-1-yl)pyridin-1-ium perchlorate Openeye Name: 1-butyl-2,6-diphenyl-4-(4,6,8-trimethylazulen-1-yl)pyridin-1-ium perchlorate CAS Name: 1-butyl-2,6-diphenyl-4-(4,6,8-trimethyl-1-azulenyl)pyridin-1-ium perchlorate IUPAC Name: 1-butyl-2,6-diphenyl-4-(4,6,8-trimethylazulen-1-yl)pyridin-1-ium perchlorate Traditional Name: 1-butyl-2,6-diphenyl-4-(4,6,8-trimethylazulen-1-yl)pyridin-1-ium perchlorate Formula: C34H34ClNO4 MolecularWeight: 556.09106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H34N.ClHO4/c1-5-6-19-35-32(27-13-9-7-10-14-27)22-29(23-33(35)28-15-11-8-12-16-28)31-18-17-30-25(3)20-24(2)21-26(4)34(30)31;2-1(3,4)5/h7-18,20-23H,5-6,19H2,1-4H3;(H,2,3,4,5)/q+1;/p-1