trimethyl-[3-[7-(5-phenylmethoxyindol-1-yl)heptoxycarbonyl]phenyl]azanium iodide

Systemtic Name: trimethyl-[3-[7-(5-phenylmethoxyindol-1-yl)heptoxycarbonyl]phenyl]azanium iodide Openeye Name: [3-[7-(5-benzyloxyindol-1-yl)heptoxycarbonyl]phenyl]-trimethyl-ammonium iodide CAS Name: trimethyl-[3-[oxo-[7-(5-phenylmethoxy-1-indolyl)heptoxy]methyl]phenyl]ammonium iodide IUPAC Name: trimethyl-[3-[7-(5-phenylmethoxyindol-1-yl)heptoxycarbonyl]phenyl]azanium iodide Traditional Name: [3-[7-(5-benzoxyindol-1-yl)heptoxycarbonyl]phenyl]-trimethyl-ammonium iodide Formula: C32H39IN2O3 MolecularWeight: 626.56813

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)C1=CC=CC(=C1)C(=O)OCCCCCCCN2C=CC3=C2C=CC(=C3)OCC4=CC=CC=C4.[I-]

Isomeric SMILES

C[N+](C)(C)C1=CC=CC(=C1)C(=O)OCCCCCCCN2C=CC3=C2C=CC(=C3)OCC4=CC=CC=C4.[I-]

InChI

InChI=1S/C32H39N2O3.HI/c1-34(2,3)29-16-12-15-28(23-29)32(35)36-22-11-6-4-5-10-20-33-21-19-27-24-30(17-18-31(27)33)37-25-26-13-8-7-9-14-26;/h7-9,12-19,21,23-24H,4-6,10-11,20,22,25H2,1-3H3;1H/q+1;/p-1