1-(2,5-dimethoxyphenyl)-3-(1-methylpiperidin-1-ium-1-yl)-1-phenyl-butan-1-ol iodide

Systemtic Name: 1-(2,5-dimethoxyphenyl)-3-(1-methylpiperidin-1-ium-1-yl)-1-phenyl-butan-1-ol iodide Openeye Name: 1-(2,5-dimethoxyphenyl)-3-(1-methylpiperidin-1-ium-1-yl)-1-phenyl-butan-1-ol iodide CAS Name: 1-(2,5-dimethoxyphenyl)-3-(1-methyl-1-piperidin-1-iumyl)-1-phenyl-1-butanol iodide IUPAC Name: 1-(2,5-dimethoxyphenyl)-3-(1-methylpiperidin-1-ium-1-yl)-1-phenylbutan-1-ol iodide Traditional Name: 1-(2,5-dimethoxyphenyl)-3-(1-methylpiperidin-1-ium-1-yl)-1-phenyl-butan-1-ol iodide Formula: C24H34INO3 MolecularWeight: 511.43613

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C1=CC=CC=C1)(C2=C(C=CC(=C2)OC)OC)O)[N+]3(CCCCC3)C.[I-]

Isomeric SMILES

CC(CC(C1=CC=CC=C1)(C2=C(C=CC(=C2)OC)OC)O)[N+]3(CCCCC3)C.[I-]

InChI

InChI=1S/C24H34NO3.HI/c1-19(25(2)15-9-6-10-16-25)18-24(26,20-11-7-5-8-12-20)22-17-21(27-3)13-14-23(22)28-4;/h5,7-8,11-14,17,19,26H,6,9-10,15-16,18H2,1-4H3;1H/q+1;/p-1