2-(2,3-dimethylphenoxy)-1-[4-(2-pyridin-4-ylethyl)piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-(2,3-dimethylphenoxy)-1-[4-(2-pyridin-4-ylethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(2,3-dimethylphenoxy)-1-[4-[2-(4-pyridyl)ethyl]piperazin-4-ium-1-yl]ethanone CAS Name: 2-(2,3-dimethylphenoxy)-1-[4-(2-pyridin-4-ylethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(2,3-dimethylphenoxy)-1-[4-(2-pyridin-4-ylethyl)piperazin-4-ium-1-yl]ethanone Traditional Name: 2-(2,3-dimethylphenoxy)-1-[4-[2-(4-pyridyl)ethyl]piperazin-4-ium-1-yl]ethanone Formula: C21H28N3O2+ MolecularWeight: 354.46592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)OCC(=O)N2CC[NH+](CC2)CCC3=CC=NC=C3)C

Isomeric SMILES

CC1=C(C(=CC=C1)OCC(=O)N2CC[NH+](CC2)CCC3=CC=NC=C3)C

InChI

InChI=1S/C21H27N3O2/c1-17-4-3-5-20(18(17)2)26-16-21(25)24-14-12-23(13-15-24)11-8-19-6-9-22-10-7-19/h3-7,9-10H,8,11-16H2,1-2H3/p+1