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

Systemtic Name: 2-(4-chlorophenyl)-1-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(4-chlorophenyl)-1-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]ethanone CAS Name: 2-(4-chlorophenyl)-1-[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(4-chlorophenyl)-1-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 2-(4-chlorophenyl)-1-(4-veratrylpiperazin-4-ium-1-yl)ethanone Formula: C21H26ClN2O3+ MolecularWeight: 389.89574

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)CC3=CC=C(C=C3)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)CC3=CC=C(C=C3)Cl)OC

InChI

InChI=1S/C21H25ClN2O3/c1-26-19-8-5-17(13-20(19)27-2)15-23-9-11-24(12-10-23)21(25)14-16-3-6-18(22)7-4-16/h3-8,13H,9-12,14-15H2,1-2H3/p+1