trimethyl-[4-[6-(5-phenylmethoxyindol-1-yl)hexoxycarbonyl]phenyl]azanium iodide

Systemtic Name: trimethyl-[4-[6-(5-phenylmethoxyindol-1-yl)hexoxycarbonyl]phenyl]azanium iodide Openeye Name: [4-[6-(5-benzyloxyindol-1-yl)hexoxycarbonyl]phenyl]-trimethyl-ammonium iodide CAS Name: trimethyl-[4-[oxo-[6-(5-phenylmethoxy-1-indolyl)hexoxy]methyl]phenyl]ammonium iodide IUPAC Name: trimethyl-[4-[6-(5-phenylmethoxyindol-1-yl)hexoxycarbonyl]phenyl]azanium iodide Traditional Name: [4-[6-(5-benzoxyindol-1-yl)hexoxycarbonyl]phenyl]-trimethyl-ammonium iodide Formula: C31H37IN2O3 MolecularWeight: 612.54155

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)C1=CC=C(C=C1)C(=O)OCCCCCCN2C=CC3=C2C=CC(=C3)OCC4=CC=CC=C4.[I-]

Isomeric SMILES

C[N+](C)(C)C1=CC=C(C=C1)C(=O)OCCCCCCN2C=CC3=C2C=CC(=C3)OCC4=CC=CC=C4.[I-]

InChI

InChI=1S/C31H37N2O3.HI/c1-33(2,3)28-15-13-26(14-16-28)31(34)35-22-10-5-4-9-20-32-21-19-27-23-29(17-18-30(27)32)36-24-25-11-7-6-8-12-25;/h6-8,11-19,21,23H,4-5,9-10,20,22,24H2,1-3H3;1H/q+1;/p-1