trimethyl-[3-[5-(1-phenylethyl)furan-2-yl]carbonyloxybutyl]azanium iodide

Systemtic Name: trimethyl-[3-[5-(1-phenylethyl)furan-2-yl]carbonyloxybutyl]azanium iodide Openeye Name: trimethyl-[3-[5-(1-phenylethyl)furan-2-carbonyl]oxybutyl]ammonium iodide CAS Name: trimethyl-[3-[oxo-[5-(1-phenylethyl)-2-furanyl]methoxy]butyl]ammonium iodide IUPAC Name: trimethyl-[3-[5-(1-phenylethyl)furan-2-carbonyl]oxybutyl]azanium iodide Traditional Name: trimethyl-[3-[5-(1-phenylethyl)-2-furoyl]oxybutyl]ammonium iodide Formula: C20H28INO3 MolecularWeight: 457.34569

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC[N+](C)(C)C)OC(=O)C1=CC=C(O1)C(C)C2=CC=CC=C2.[I-]

Isomeric SMILES

CC(CC[N+](C)(C)C)OC(=O)C1=CC=C(O1)C(C)C2=CC=CC=C2.[I-]

InChI

InChI=1S/C20H28NO3.HI/c1-15(13-14-21(3,4)5)23-20(22)19-12-11-18(24-19)16(2)17-9-7-6-8-10-17;/h6-12,15-16H,13-14H2,1-5H3;1H/q+1;/p-1