1-(4-phenethylpiperazin-4-ium-1-yl)-2-(3,4,5-trimethoxyphenoxy)ethanone

Systemtic Name: 1-(4-phenethylpiperazin-4-ium-1-yl)-2-(3,4,5-trimethoxyphenoxy)ethanone Openeye Name: 1-(4-phenethylpiperazin-4-ium-1-yl)-2-(3,4,5-trimethoxyphenoxy)ethanone CAS Name: 1-(4-phenethyl-1-piperazin-4-iumyl)-2-(3,4,5-trimethoxyphenoxy)ethanone IUPAC Name: 1-(4-phenethylpiperazin-4-ium-1-yl)-2-(3,4,5-trimethoxyphenoxy)ethanone Traditional Name: 1-(4-phenethylpiperazin-4-ium-1-yl)-2-(3,4,5-trimethoxyphenoxy)ethanone Formula: C23H31N2O5+ MolecularWeight: 415.50264

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)OCC(=O)N2CC[NH+](CC2)CCC3=CC=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)OCC(=O)N2CC[NH+](CC2)CCC3=CC=CC=C3

InChI

InChI=1S/C23H30N2O5/c1-27-20-15-19(16-21(28-2)23(20)29-3)30-17-22(26)25-13-11-24(12-14-25)10-9-18-7-5-4-6-8-18/h4-8,15-16H,9-14,17H2,1-3H3/p+1