trimethyl-[4-[7-(5-phenylmethoxyindol-1-yl)heptoxycarbonyl]phenyl]azanium iodide

Systemtic Name: trimethyl-[4-[7-(5-phenylmethoxyindol-1-yl)heptoxycarbonyl]phenyl]azanium iodide Openeye Name: [4-[7-(5-benzyloxyindol-1-yl)heptoxycarbonyl]phenyl]-trimethyl-ammonium iodide CAS Name: trimethyl-[4-[oxo-[7-(5-phenylmethoxy-1-indolyl)heptoxy]methyl]phenyl]ammonium iodide IUPAC Name: trimethyl-[4-[7-(5-phenylmethoxyindol-1-yl)heptoxycarbonyl]phenyl]azanium iodide Traditional Name: [4-[7-(5-benzoxyindol-1-yl)heptoxycarbonyl]phenyl]-trimethyl-ammonium iodide Formula: C32H39IN2O3 MolecularWeight: 626.56813

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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