2-(2,5-dimethylphenoxy)-1-piperazin-4-ium-1-yl-ethanone

Systemtic Name: 2-(2,5-dimethylphenoxy)-1-piperazin-4-ium-1-yl-ethanone Openeye Name: 2-(2,5-dimethylphenoxy)-1-piperazin-4-ium-1-yl-ethanone CAS Name: 2-(2,5-dimethylphenoxy)-1-(1-piperazin-4-iumyl)ethanone IUPAC Name: 2-(2,5-dimethylphenoxy)-1-piperazin-4-ium-1-ylethanone Traditional Name: 2-(2,5-dimethylphenoxy)-1-piperazin-4-ium-1-yl-ethanone Formula: C14H21N2O2+ MolecularWeight: 249.32874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCC(=O)N2CC[NH2+]CC2

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCC(=O)N2CC[NH2+]CC2

InChI

InChI=1S/C14H20N2O2/c1-11-3-4-12(2)13(9-11)18-10-14(17)16-7-5-15-6-8-16/h3-4,9,15H,5-8,10H2,1-2H3/p+1