2-(4-chloranylphenoxy)-1-piperazin-4-ium-1-yl-ethanone

Systemtic Name: 2-(4-chloranylphenoxy)-1-piperazin-4-ium-1-yl-ethanone Openeye Name: 2-(4-chlorophenoxy)-1-piperazin-4-ium-1-yl-ethanone CAS Name: 2-(4-chlorophenoxy)-1-(1-piperazin-4-iumyl)ethanone IUPAC Name: 2-(4-chlorophenoxy)-1-piperazin-4-ium-1-ylethanone Traditional Name: 2-(4-chlorophenoxy)-1-piperazin-4-ium-1-yl-ethanone Formula: C12H16ClN2O2+ MolecularWeight: 255.72064

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C(=O)COC2=CC=C(C=C2)Cl

Isomeric SMILES

C1CN(CC[NH2+]1)C(=O)COC2=CC=C(C=C2)Cl

InChI

InChI=1S/C12H15ClN2O2/c13-10-1-3-11(4-2-10)17-9-12(16)15-7-5-14-6-8-15/h1-4,14H,5-9H2/p+1