1-hexadecyl-2,4,6-triphenyl-pyridin-1-ium perchlorate

Systemtic Name: 1-hexadecyl-2,4,6-triphenyl-pyridin-1-ium perchlorate Openeye Name: 1-hexadecyl-2,4,6-triphenyl-pyridin-1-ium perchlorate CAS Name: 1-hexadecyl-2,4,6-triphenylpyridin-1-ium perchlorate IUPAC Name: 1-hexadecyl-2,4,6-triphenylpyridin-1-ium perchlorate Traditional Name: 1-cetyl-2,4,6-triphenyl-pyridin-1-ium perchlorate Formula: C39H50ClNO4 MolecularWeight: 632.2716

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+]1=C(C=C(C=C1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+]1=C(C=C(C=C1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C39H50N.ClHO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-24-31-40-38(35-27-20-16-21-28-35)32-37(34-25-18-15-19-26-34)33-39(40)36-29-22-17-23-30-36;2-1(3,4)5/h15-23,25-30,32-33H,2-14,24,31H2,1H3;(H,2,3,4,5)/q+1;/p-1