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

Systemtic Name: 4-methyl-2-[3-(1-methylpyrrolidin-1-ium-1-yl)-1-phenyl-propyl]phenol iodide Openeye Name: 4-methyl-2-[3-(1-methylpyrrolidin-1-ium-1-yl)-1-phenyl-propyl]phenol iodide CAS Name: 4-methyl-2-[3-(1-methyl-1-pyrrolidin-1-iumyl)-1-phenylpropyl]phenol iodide IUPAC Name: 4-methyl-2-[3-(1-methylpyrrolidin-1-ium-1-yl)-1-phenylpropyl]phenol iodide Traditional Name: 4-methyl-2-[3-(1-methylpyrrolidin-1-ium-1-yl)-1-phenyl-propyl]phenol iodide Formula: C21H28INO MolecularWeight: 437.35759

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)C(CC[N+]2(CCCC2)C)C3=CC=CC=C3.[I-]

Isomeric SMILES

CC1=CC(=C(C=C1)O)C(CC[N+]2(CCCC2)C)C3=CC=CC=C3.[I-]

InChI

InChI=1S/C21H27NO.HI/c1-17-10-11-21(23)20(16-17)19(18-8-4-3-5-9-18)12-15-22(2)13-6-7-14-22;/h3-5,8-11,16,19H,6-7,12-15H2,1-2H3;1H