2-[3-(1-ethylpyrrolidin-1-ium-1-yl)-1-phenyl-propyl]-4-methyl-phenol iodide

Systemtic Name: 2-[3-(1-ethylpyrrolidin-1-ium-1-yl)-1-phenyl-propyl]-4-methyl-phenol iodide Openeye Name: 2-[3-(1-ethylpyrrolidin-1-ium-1-yl)-1-phenyl-propyl]-4-methyl-phenol iodide CAS Name: 2-[3-(1-ethyl-1-pyrrolidin-1-iumyl)-1-phenylpropyl]-4-methylphenol iodide IUPAC Name: 2-[3-(1-ethylpyrrolidin-1-ium-1-yl)-1-phenylpropyl]-4-methylphenol iodide Traditional Name: 2-[3-(1-ethylpyrrolidin-1-ium-1-yl)-1-phenyl-propyl]-4-methyl-phenol iodide Formula: C22H30INO MolecularWeight: 451.38417

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCCC1)CCC(C2=CC=CC=C2)C3=C(C=CC(=C3)C)O.[I-]

Isomeric SMILES

CC[N+]1(CCCC1)CCC(C2=CC=CC=C2)C3=C(C=CC(=C3)C)O.[I-]

InChI

InChI=1S/C22H29NO.HI/c1-3-23(14-7-8-15-23)16-13-20(19-9-5-4-6-10-19)21-17-18(2)11-12-22(21)24;/h4-6,9-12,17,20H,3,7-8,13-16H2,1-2H3;1H