trimethyl-[3-[4-(5-phenylmethoxyindol-1-yl)butoxycarbonyl]phenyl]azanium iodide

Systemtic Name: trimethyl-[3-[4-(5-phenylmethoxyindol-1-yl)butoxycarbonyl]phenyl]azanium iodide Openeye Name: [3-[4-(5-benzyloxyindol-1-yl)butoxycarbonyl]phenyl]-trimethyl-ammonium iodide CAS Name: trimethyl-[3-[oxo-[4-(5-phenylmethoxy-1-indolyl)butoxy]methyl]phenyl]ammonium iodide IUPAC Name: trimethyl-[3-[4-(5-phenylmethoxyindol-1-yl)butoxycarbonyl]phenyl]azanium iodide Traditional Name: [3-[4-(5-benzoxyindol-1-yl)butoxycarbonyl]phenyl]-trimethyl-ammonium iodide Formula: C29H33IN2O3 MolecularWeight: 584.48839

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)C1=CC=CC(=C1)C(=O)OCCCCN2C=CC3=C2C=CC(=C3)OCC4=CC=CC=C4.[I-]

Isomeric SMILES

C[N+](C)(C)C1=CC=CC(=C1)C(=O)OCCCCN2C=CC3=C2C=CC(=C3)OCC4=CC=CC=C4.[I-]

InChI

InChI=1S/C29H33N2O3.HI/c1-31(2,3)26-13-9-12-25(20-26)29(32)33-19-8-7-17-30-18-16-24-21-27(14-15-28(24)30)34-22-23-10-5-4-6-11-23;/h4-6,9-16,18,20-21H,7-8,17,19,22H2,1-3H3;1H/q+1;/p-1