1-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-(3,4-dimethylphenoxy)ethanone

Systemtic Name: 1-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-(3,4-dimethylphenoxy)ethanone Openeye Name: 1-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-(3,4-dimethylphenoxy)ethanone CAS Name: 1-[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]-2-(3,4-dimethylphenoxy)ethanone IUPAC Name: 1-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-(3,4-dimethylphenoxy)ethanone Traditional Name: 2-(3,4-dimethylphenoxy)-1-(4-veratrylpiperazin-4-ium-1-yl)ethanone Formula: C23H31N2O4+ MolecularWeight: 399.50324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCC(=O)N2CC[NH+](CC2)CC3=CC(=C(C=C3)OC)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)OCC(=O)N2CC[NH+](CC2)CC3=CC(=C(C=C3)OC)OC)C

InChI

InChI=1S/C23H30N2O4/c1-17-5-7-20(13-18(17)2)29-16-23(26)25-11-9-24(10-12-25)15-19-6-8-21(27-3)22(14-19)28-4/h5-8,13-14H,9-12,15-16H2,1-4H3/p+1