4-azulen-1-yl-1-butyl-2,3,6-triphenyl-pyridin-1-ium perchlorate

Systemtic Name: 4-azulen-1-yl-1-butyl-2,3,6-triphenyl-pyridin-1-ium perchlorate Openeye Name: 4-azulen-1-yl-1-butyl-2,3,6-triphenyl-pyridin-1-ium perchlorate CAS Name: 4-(1-azulenyl)-1-butyl-2,3,6-triphenylpyridin-1-ium perchlorate IUPAC Name: 4-azulen-1-yl-1-butyl-2,3,6-triphenylpyridin-1-ium perchlorate Traditional Name: 4-azulen-1-yl-1-butyl-2,3,6-triphenyl-pyridin-1-ium perchlorate Formula: C37H32ClNO4 MolecularWeight: 590.10728

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=C(C=C(C(=C1C2=CC=CC=C2)C3=CC=CC=C3)C4=C5C=CC=CC=C5C=C4)C6=CC=CC=C6.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CCCC[N+]1=C(C=C(C(=C1C2=CC=CC=C2)C3=CC=CC=C3)C4=C5C=CC=CC=C5C=C4)C6=CC=CC=C6.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C37H32N.ClHO4/c1-2-3-26-38-35(29-17-9-4-10-18-29)27-34(33-25-24-28-16-8-7-15-23-32(28)33)36(30-19-11-5-12-20-30)37(38)31-21-13-6-14-22-31;2-1(3,4)5/h4-25,27H,2-3,26H2,1H3;(H,2,3,4,5)/q+1;/p-1