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

Systemtic Name: 1-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-phenoxy-ethanone Openeye Name: 1-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-phenoxy-ethanone CAS Name: 1-[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]-2-phenoxyethanone IUPAC Name: 1-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-phenoxyethanone Traditional Name: 2-phenoxy-1-(4-veratrylpiperazin-4-ium-1-yl)ethanone Formula: C21H27N2O4+ MolecularWeight: 371.45008

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)COC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)COC3=CC=CC=C3)OC

InChI

InChI=1S/C21H26N2O4/c1-25-19-9-8-17(14-20(19)26-2)15-22-10-12-23(13-11-22)21(24)16-27-18-6-4-3-5-7-18/h3-9,14H,10-13,15-16H2,1-2H3/p+1