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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C[NH+]2CCN(CC2)C(=O)COC3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC(=C1OC)C[NH+]2CCN(CC2)C(=O)COC3=CC=CC=C3

InChI

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