methyl 1-[8-(1-methylpyridin-1-ium-3-yl)carbonyloxyoctyl]-5-(triphenylmethyl)oxy-indole-2-carboxylate

Systemtic Name: methyl 1-[8-(1-methylpyridin-1-ium-3-yl)carbonyloxyoctyl]-5-(triphenylmethyl)oxy-indole-2-carboxylate Openeye Name: methyl 1-[8-(1-methylpyridin-1-ium-3-carbonyl)oxyoctyl]-5-trityloxy-indole-2-carboxylate CAS Name: 1-[8-[(1-methyl-3-pyridin-1-iumyl)-oxomethoxy]octyl]-5-(triphenylmethyl)oxy-2-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[8-(1-methylpyridin-1-ium-3-carbonyl)oxyoctyl]-5-trityloxyindole-2-carboxylate Traditional Name: 1-[8-(1-methylpyridin-1-ium-3-carbonyl)oxyoctyl]-5-trityloxy-indole-2-carboxylic acid methyl ester Formula: C44H45N2O5+ MolecularWeight: 681.8385

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C(=O)OCCCCCCCCN2C3=C(C=C(C=C3)OC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C=C2C(=O)OC

Isomeric SMILES

C[N+]1=CC=CC(=C1)C(=O)OCCCCCCCCN2C3=C(C=C(C=C3)OC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C=C2C(=O)OC

InChI

InChI=1S/C44H45N2O5/c1-45-28-18-19-34(33-45)42(47)50-30-17-6-4-3-5-16-29-46-40-27-26-39(31-35(40)32-41(46)43(48)49-2)51-44(36-20-10-7-11-21-36,37-22-12-8-13-23-37)38-24-14-9-15-25-38/h7-15,18-28,31-33H,3-6,16-17,29-30H2,1-2H3/q+1