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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(=O)N2CC[NH+](CC2)CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC=CC=C1OCC(=O)N2CC[NH+](CC2)CC3=CC(=C(C=C3)OC)OC

InChI

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