2-(5-chloranyl-2-methoxy-phenyl)-1-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-(5-chloranyl-2-methoxy-phenyl)-1-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(5-chloro-2-methoxy-phenyl)-1-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]ethanone CAS Name: 2-(5-chloro-2-methoxyphenyl)-1-[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(5-chloro-2-methoxyphenyl)-1-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 2-(5-chloro-2-methoxy-phenyl)-1-(4-veratrylpiperazin-4-ium-1-yl)ethanone Formula: C22H28ClN2O4+ MolecularWeight: 419.92172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27ClN2O4/c1-27-19-7-5-18(23)13-17(19)14-22(26)25-10-8-24(9-11-25)15-16-4-6-20(28-2)21(12-16)29-3/h4-7,12-13H,8-11,14-15H2,1-3H3/p+1