2-(2,4-dimethoxyphenyl)-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-(2,4-dimethoxyphenyl)-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(2,4-dimethoxyphenyl)-1-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]ethanone CAS Name: 2-(2,4-dimethoxyphenyl)-1-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(2,4-dimethoxyphenyl)-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethanone Traditional Name: 2-(2,4-dimethoxyphenyl)-1-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]ethanone Formula: C20H26N3O3+ MolecularWeight: 356.43874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O3/c1-25-18-4-3-17(19(14-18)26-2)13-20(24)23-11-9-22(10-12-23)15-16-5-7-21-8-6-16/h3-8,14H,9-13,15H2,1-2H3/p+1