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

Systemtic Name: 4-azulen-1-yl-1-methyl-2,6-diphenyl-pyridin-1-ium perchlorate Openeye Name: 4-azulen-1-yl-1-methyl-2,6-diphenyl-pyridin-1-ium perchlorate CAS Name: 4-(1-azulenyl)-1-methyl-2,6-diphenylpyridin-1-ium perchlorate IUPAC Name: 4-azulen-1-yl-1-methyl-2,6-diphenylpyridin-1-ium perchlorate Traditional Name: 4-azulen-1-yl-1-methyl-2,6-diphenyl-pyridin-1-ium perchlorate Formula: C28H22ClNO4 MolecularWeight: 471.93158

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Descriptors Computed from Structure

Canonical SMILES:

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

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/C28H22N.ClHO4/c1-29-27(22-12-6-2-7-13-22)19-24(20-28(29)23-14-8-3-9-15-23)26-18-17-21-11-5-4-10-16-25(21)26;2-1(3,4)5/h2-20H,1H3;(H,2,3,4,5)/q+1;/p-1