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

Systemtic Name: 1-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-(4-methoxyphenyl)ethanone Openeye Name: 1-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-(4-methoxyphenyl)ethanone CAS Name: 1-[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]-2-(4-methoxyphenyl)ethanone IUPAC Name: 1-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-(4-methoxyphenyl)ethanone Traditional Name: 2-(4-methoxyphenyl)-1-(4-veratrylpiperazin-4-ium-1-yl)ethanone Formula: C22H29N2O4+ MolecularWeight: 385.47666

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(=O)N2CC[NH+](CC2)CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)CC(=O)N2CC[NH+](CC2)CC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H28N2O4/c1-26-19-7-4-17(5-8-19)15-22(25)24-12-10-23(11-13-24)16-18-6-9-20(27-2)21(14-18)28-3/h4-9,14H,10-13,15-16H2,1-3H3/p+1