3-[4-(2,4-dichlorophenyl)carbonylpiperazin-1-ium-1-yl]propanoate

Systemtic Name: 3-[4-(2,4-dichlorophenyl)carbonylpiperazin-1-ium-1-yl]propanoate Openeye Name: 3-[4-(2,4-dichlorobenzoyl)piperazin-1-ium-1-yl]propanoate CAS Name: 3-[4-[(2,4-dichlorophenyl)-oxomethyl]-1-piperazin-1-iumyl]propanoate IUPAC Name: 3-[4-(2,4-dichlorobenzoyl)piperazin-1-ium-1-yl]propanoate Traditional Name: 3-[4-(2,4-dichlorobenzoyl)piperazin-1-ium-1-yl]propionate Formula: C14H16Cl2N2O3 MolecularWeight: 331.19444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16Cl2N2O3/c15-10-1-2-11(12(16)9-10)14(21)18-7-5-17(6-8-18)4-3-13(19)20/h1-2,9H,3-8H2,(H,19,20)