trimethyl-[4-[2-oxidanylidene-2-[9-(5-phenylmethoxyindol-1-yl)nonoxy]ethyl]phenyl]azanium iodide

Systemtic Name: trimethyl-[4-[2-oxidanylidene-2-[9-(5-phenylmethoxyindol-1-yl)nonoxy]ethyl]phenyl]azanium iodide Openeye Name: [4-[2-[9-(5-benzyloxyindol-1-yl)nonoxy]-2-oxo-ethyl]phenyl]-trimethyl-ammonium iodide CAS Name: trimethyl-[4-[2-oxo-2-[9-(5-phenylmethoxy-1-indolyl)nonoxy]ethyl]phenyl]ammonium iodide IUPAC Name: trimethyl-[4-[2-oxo-2-[9-(5-phenylmethoxyindol-1-yl)nonoxy]ethyl]phenyl]azanium iodide Traditional Name: [4-[2-[9-(5-benzoxyindol-1-yl)nonoxy]-2-keto-ethyl]phenyl]-trimethyl-ammonium iodide Formula: C35H45IN2O3 MolecularWeight: 668.64787

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)C1=CC=C(C=C1)CC(=O)OCCCCCCCCCN2C=CC3=C2C=CC(=C3)OCC4=CC=CC=C4.[I-]

Isomeric SMILES

C[N+](C)(C)C1=CC=C(C=C1)CC(=O)OCCCCCCCCCN2C=CC3=C2C=CC(=C3)OCC4=CC=CC=C4.[I-]

InChI

InChI=1S/C35H45N2O3.HI/c1-37(2,3)32-18-16-29(17-19-32)26-35(38)39-25-13-8-6-4-5-7-12-23-36-24-22-31-27-33(20-21-34(31)36)40-28-30-14-10-9-11-15-30;/h9-11,14-22,24,27H,4-8,12-13,23,25-26,28H2,1-3H3;1H/q+1;/p-1