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

Systemtic Name: 4-azulen-1-yl-1-butyl-3-methyl-2,6-diphenyl-pyridin-1-ium perchlorate Openeye Name: 4-azulen-1-yl-1-butyl-3-methyl-2,6-diphenyl-pyridin-1-ium perchlorate CAS Name: 4-(1-azulenyl)-1-butyl-3-methyl-2,6-diphenylpyridin-1-ium perchlorate IUPAC Name: 4-azulen-1-yl-1-butyl-3-methyl-2,6-diphenylpyridin-1-ium perchlorate Traditional Name: 4-azulen-1-yl-1-butyl-3-methyl-2,6-diphenyl-pyridin-1-ium perchlorate Formula: C32H30ClNO4 MolecularWeight: 528.0379

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C32H30N.ClHO4/c1-3-4-22-33-31(26-15-9-5-10-16-26)23-30(24(2)32(33)27-17-11-6-12-18-27)29-21-20-25-14-8-7-13-19-28(25)29;2-1(3,4)5/h5-21,23H,3-4,22H2,1-2H3;(H,2,3,4,5)/q+1;/p-1