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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)C(CC[N+]2(CCCCC2)C)C3=CC=CC=C3.[I-]

Isomeric SMILES

CC1=CC(=C(C=C1)O)C(CC[N+]2(CCCCC2)C)C3=CC=CC=C3.[I-]

InChI

InChI=1S/C22H29NO.HI/c1-18-11-12-22(24)21(17-18)20(19-9-5-3-6-10-19)13-16-23(2)14-7-4-8-15-23;/h3,5-6,9-12,17,20H,4,7-8,13-16H2,1-2H3;1H