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

Systemtic Name: 1-[3-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-ium-1-yl]methyl]-4-methoxy-phenyl]ethanone Openeye Name: 1-[3-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-ium-1-yl]methyl]-4-methoxy-phenyl]ethanone CAS Name: 1-[3-[[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazin-1-iumyl]methyl]-4-methoxyphenyl]ethanone IUPAC Name: 1-[3-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-ium-1-yl]methyl]-4-methoxyphenyl]ethanone Traditional Name: 1-[4-methoxy-3-[(4-veratrylpiperazin-1-ium-1-yl)methyl]phenyl]ethanone Formula: C23H31N2O4+ MolecularWeight: 399.50324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O4/c1-17(26)19-6-8-21(27-2)20(14-19)16-25-11-9-24(10-12-25)15-18-5-7-22(28-3)23(13-18)29-4/h5-8,13-14H,9-12,15-16H2,1-4H3/p+1