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

Systemtic Name: 5-phenylmethoxy-3-[2-(2,4,6-triphenylpyridin-1-ium-1-yl)ethyl]-1H-indole perchlorate Openeye Name: 5-benzyloxy-3-[2-(2,4,6-triphenylpyridin-1-ium-1-yl)ethyl]-1H-indole perchlorate CAS Name: 5-phenylmethoxy-3-[2-(2,4,6-triphenyl-1-pyridin-1-iumyl)ethyl]-1H-indole perchlorate IUPAC Name: 5-phenylmethoxy-3-[2-(2,4,6-triphenylpyridin-1-ium-1-yl)ethyl]-1H-indole perchlorate Traditional Name: 5-benzoxy-3-[2-(2,4,6-triphenylpyridin-1-ium-1-yl)ethyl]-1H-indole perchlorate Formula: C40H33ClN2O5 MolecularWeight: 657.15342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC=C3CC[N+]4=C(C=C(C=C4C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7.[O-]Cl(=O)(=O)=O

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC=C3CC[N+]4=C(C=C(C=C4C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C40H33N2O.ClHO4/c1-5-13-30(14-6-1)29-43-36-21-22-38-37(27-36)34(28-41-38)23-24-42-39(32-17-9-3-10-18-32)25-35(31-15-7-2-8-16-31)26-40(42)33-19-11-4-12-20-33;2-1(3,4)5/h1-22,25-28,41H,23-24,29H2;(H,2,3,4,5)/q+1;/p-1