1-[4-methyl-4-(phenylmethyl)piperazin-4-ium-1-yl]-2-(3,4,5-trimethoxyphenoxy)ethanone iodide

Systemtic Name: 1-[4-methyl-4-(phenylmethyl)piperazin-4-ium-1-yl]-2-(3,4,5-trimethoxyphenoxy)ethanone iodide Openeye Name: 1-(4-benzyl-4-methyl-piperazin-4-ium-1-yl)-2-(3,4,5-trimethoxyphenoxy)ethanone iodide CAS Name: 1-[4-methyl-4-(phenylmethyl)-1-piperazin-4-iumyl]-2-(3,4,5-trimethoxyphenoxy)ethanone iodide IUPAC Name: 1-(4-benzyl-4-methylpiperazin-4-ium-1-yl)-2-(3,4,5-trimethoxyphenoxy)ethanone iodide Traditional Name: 1-(4-benzyl-4-methyl-piperazin-4-ium-1-yl)-2-(3,4,5-trimethoxyphenoxy)ethanone iodide Formula: C23H31IN2O5 MolecularWeight: 542.40711

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CC1)C(=O)COC2=CC(=C(C(=C2)OC)OC)OC)CC3=CC=CC=C3.[I-]

Isomeric SMILES

C[N+]1(CCN(CC1)C(=O)COC2=CC(=C(C(=C2)OC)OC)OC)CC3=CC=CC=C3.[I-]

InChI

InChI=1S/C23H31N2O5.HI/c1-25(16-18-8-6-5-7-9-18)12-10-24(11-13-25)22(26)17-30-19-14-20(27-2)23(29-4)21(15-19)28-3;/h5-9,14-15H,10-13,16-17H2,1-4H3;1H/q+1;/p-1