trimethyl-[3-[8-(5-phenylmethoxyindol-1-yl)octoxycarbonyl]phenyl]azanium iodide

Systemtic Name: trimethyl-[3-[8-(5-phenylmethoxyindol-1-yl)octoxycarbonyl]phenyl]azanium iodide Openeye Name: [3-[8-(5-benzyloxyindol-1-yl)octoxycarbonyl]phenyl]-trimethyl-ammonium iodide CAS Name: trimethyl-[3-[oxo-[8-(5-phenylmethoxy-1-indolyl)octoxy]methyl]phenyl]ammonium iodide IUPAC Name: trimethyl-[3-[8-(5-phenylmethoxyindol-1-yl)octoxycarbonyl]phenyl]azanium iodide Traditional Name: [3-[8-(5-benzoxyindol-1-yl)octoxycarbonyl]phenyl]-trimethyl-ammonium iodide Formula: C33H41IN2O3 MolecularWeight: 640.59471

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)C1=CC=CC(=C1)C(=O)OCCCCCCCCN2C=CC3=C2C=CC(=C3)OCC4=CC=CC=C4.[I-]

Isomeric SMILES

C[N+](C)(C)C1=CC=CC(=C1)C(=O)OCCCCCCCCN2C=CC3=C2C=CC(=C3)OCC4=CC=CC=C4.[I-]

InChI

InChI=1S/C33H41N2O3.HI/c1-35(2,3)30-17-13-16-29(24-30)33(36)37-23-12-7-5-4-6-11-21-34-22-20-28-25-31(18-19-32(28)34)38-26-27-14-9-8-10-15-27;/h8-10,13-20,22,24-25H,4-7,11-12,21,23,26H2,1-3H3;1H/q+1;/p-1