3,3-dioctadecyl-3-azoniabicyclo[3.3.1]nona-1(9),5,7-triene-2,4-dione

Systemtic Name: 3,3-dioctadecyl-3-azoniabicyclo[3.3.1]nona-1(9),5,7-triene-2,4-dione Openeye Name: 3,3-dioctadecyl-3-azoniabicyclo[3.3.1]nona-1(9),5,7-triene-2,4-dione CAS Name: 3,3-dioctadecyl-3-azoniabicyclo[3.3.1]nona-1(9),5,7-triene-2,4-dione IUPAC Name: 3,3-dioctadecyl-3-azoniabicyclo[3.3.1]nona-1(9),5,7-triene-2,4-dione Traditional Name: 3,3-distearyl-3-azoniabicyclo[3.3.1]nona-1(9),5,7-triene-2,4-quinone Formula: C44H78NO2+ MolecularWeight: 653.09562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+]1(C(=O)C2=CC(=CC=C2)C1=O)CCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+]1(C(=O)C2=CC(=CC=C2)C1=O)CCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C44H78NO2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38-45(43(46)41-36-35-37-42(40-41)44(45)47)39-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-37,40H,3-34,38-39H2,1-2H3/q+1