1-(2,5-dimethoxyphenyl)-4-(1-methylpiperidin-1-ium-1-yl)-1-phenyl-butan-1-ol iodide

Systemtic Name: 1-(2,5-dimethoxyphenyl)-4-(1-methylpiperidin-1-ium-1-yl)-1-phenyl-butan-1-ol iodide Openeye Name: 1-(2,5-dimethoxyphenyl)-4-(1-methylpiperidin-1-ium-1-yl)-1-phenyl-butan-1-ol iodide CAS Name: 1-(2,5-dimethoxyphenyl)-4-(1-methyl-1-piperidin-1-iumyl)-1-phenyl-1-butanol iodide IUPAC Name: 1-(2,5-dimethoxyphenyl)-4-(1-methylpiperidin-1-ium-1-yl)-1-phenylbutan-1-ol iodide Traditional Name: 1-(2,5-dimethoxyphenyl)-4-(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:

C[N+]1(CCCCC1)CCCC(C2=CC=CC=C2)(C3=C(C=CC(=C3)OC)OC)O.[I-]

Isomeric SMILES

C[N+]1(CCCCC1)CCCC(C2=CC=CC=C2)(C3=C(C=CC(=C3)OC)OC)O.[I-]

InChI

InChI=1S/C24H34NO3.HI/c1-25(16-8-5-9-17-25)18-10-15-24(26,20-11-6-4-7-12-20)22-19-21(27-2)13-14-23(22)28-3;/h4,6-7,11-14,19,26H,5,8-10,15-18H2,1-3H3;1H/q+1;/p-1