3-[2-(2,4,6-triphenylpyridin-1-ium-1-yl)ethyl]-1H-indole perchlorate

Systemtic Name: 3-[2-(2,4,6-triphenylpyridin-1-ium-1-yl)ethyl]-1H-indole perchlorate Openeye Name: 3-[2-(2,4,6-triphenylpyridin-1-ium-1-yl)ethyl]-1H-indole perchlorate CAS Name: 3-[2-(2,4,6-triphenyl-1-pyridin-1-iumyl)ethyl]-1H-indole perchlorate IUPAC Name: 3-[2-(2,4,6-triphenylpyridin-1-ium-1-yl)ethyl]-1H-indole perchlorate Traditional Name: 3-[2-(2,4,6-triphenylpyridin-1-ium-1-yl)ethyl]-1H-indole perchlorate Formula: C33H27ClN2O4 MolecularWeight: 551.03148

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=[N+](C(=C2)C3=CC=CC=C3)CCC4=CNC5=CC=CC=C54)C6=CC=CC=C6.[O-]Cl(=O)(=O)=O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=[N+](C(=C2)C3=CC=CC=C3)CCC4=CNC5=CC=CC=C54)C6=CC=CC=C6.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C33H27N2.ClHO4/c1-4-12-25(13-5-1)29-22-32(26-14-6-2-7-15-26)35(33(23-29)27-16-8-3-9-17-27)21-20-28-24-34-31-19-11-10-18-30(28)31;2-1(3,4)5/h1-19,22-24,34H,20-21H2;(H,2,3,4,5)/q+1;/p-1