9-docosyl-10-methyl-acridin-10-ium perchlorate

Systemtic Name: 9-docosyl-10-methyl-acridin-10-ium perchlorate Openeye Name: 9-docosyl-10-methyl-acridin-10-ium perchlorate CAS Name: 9-docosyl-10-methylacridin-10-ium perchlorate IUPAC Name: 9-docosyl-10-methylacridin-10-ium perchlorate Traditional Name: 9-behenyl-10-methyl-acridin-10-ium perchlorate Formula: C36H56ClNO4 MolecularWeight: 602.28714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCC1=C2C=CC=CC2=[N+](C3=CC=CC=C31)C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCC1=C2C=CC=CC2=[N+](C3=CC=CC=C31)C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C36H56N.ClHO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27-32-33-28-23-25-30-35(33)37(2)36-31-26-24-29-34(32)36;2-1(3,4)5/h23-26,28-31H,3-22,27H2,1-2H3;(H,2,3,4,5)/q+1;/p-1