2-(3,4-dimethylphenoxy)-1-piperazin-4-ium-1-yl-ethanone

Systemtic Name: 2-(3,4-dimethylphenoxy)-1-piperazin-4-ium-1-yl-ethanone Openeye Name: 2-(3,4-dimethylphenoxy)-1-piperazin-4-ium-1-yl-ethanone CAS Name: 2-(3,4-dimethylphenoxy)-1-(1-piperazin-4-iumyl)ethanone IUPAC Name: 2-(3,4-dimethylphenoxy)-1-piperazin-4-ium-1-ylethanone Traditional Name: 2-(3,4-dimethylphenoxy)-1-piperazin-4-ium-1-yl-ethanone Formula: C14H21N2O2+ MolecularWeight: 249.32874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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