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

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

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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)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)C5=CC=CC=C5.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C31H28N.ClHO4/c1-2-3-21-32-30(25-14-8-4-9-15-25)22-27(23-31(32)26-16-10-5-11-17-26)29-20-19-24-13-7-6-12-18-28(24)29;2-1(3,4)5/h4-20,22-23H,2-3,21H2,1H3;(H,2,3,4,5)/q+1;/p-1