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

Systemtic Name: 1-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-phenyl-ethanone Openeye Name: 1-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-phenyl-ethanone CAS Name: 1-[4-[(2,3-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]-2-phenylethanone IUPAC Name: 1-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-phenylethanone Traditional Name: 1-(4-o-veratrylpiperazin-4-ium-1-yl)-2-phenyl-ethanone Formula: C21H27N2O3+ MolecularWeight: 355.45068

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C[NH+]2CCN(CC2)C(=O)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC(=C1OC)C[NH+]2CCN(CC2)C(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O3/c1-25-19-10-6-9-18(21(19)26-2)16-22-11-13-23(14-12-22)20(24)15-17-7-4-3-5-8-17/h3-10H,11-16H2,1-2H3/p+1