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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(=O)N2CC[NH+](CC2)CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC(=CC=C1)OCC(=O)N2CC[NH+](CC2)CC3=CC(=C(C=C3)OC)OC

InChI

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