3-(3,5-dimethoxyphenyl)-1-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]propan-1-one

Systemtic Name: 3-(3,5-dimethoxyphenyl)-1-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]propan-1-one Openeye Name: 3-(3,5-dimethoxyphenyl)-1-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]propan-1-one CAS Name: 3-(3,5-dimethoxyphenyl)-1-[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]-1-propanone IUPAC Name: 3-(3,5-dimethoxyphenyl)-1-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]propan-1-one Traditional Name: 3-(3,5-dimethoxyphenyl)-1-(4-veratrylpiperazin-4-ium-1-yl)propan-1-one Formula: C24H33N2O5+ MolecularWeight: 429.52922

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)CCC3=CC(=CC(=C3)OC)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)CCC3=CC(=CC(=C3)OC)OC)OC

InChI

InChI=1S/C24H32N2O5/c1-28-20-13-18(14-21(16-20)29-2)6-8-24(27)26-11-9-25(10-12-26)17-19-5-7-22(30-3)23(15-19)31-4/h5,7,13-16H,6,8-12,17H2,1-4H3/p+1