2-[4-(2,4-dichlorophenyl)carbonylpiperazin-1-ium-1-yl]ethanoate

Systemtic Name: 2-[4-(2,4-dichlorophenyl)carbonylpiperazin-1-ium-1-yl]ethanoate Openeye Name: 2-[4-(2,4-dichlorobenzoyl)piperazin-1-ium-1-yl]acetate CAS Name: 2-[4-[(2,4-dichlorophenyl)-oxomethyl]-1-piperazin-1-iumyl]acetate IUPAC Name: 2-[4-(2,4-dichlorobenzoyl)piperazin-1-ium-1-yl]acetate Traditional Name: 2-[4-(2,4-dichlorobenzoyl)piperazin-1-ium-1-yl]acetate Formula: C13H14Cl2N2O3 MolecularWeight: 317.16786

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)[O-])C(=O)C2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)[O-])C(=O)C2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C13H14Cl2N2O3/c14-9-1-2-10(11(15)7-9)13(20)17-5-3-16(4-6-17)8-12(18)19/h1-2,7H,3-6,8H2,(H,18,19)