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

Systemtic Name: 3-[4-(2-chlorophenyl)carbonylpiperazin-1-ium-1-yl]propanoate Openeye Name: 3-[4-(2-chlorobenzoyl)piperazin-1-ium-1-yl]propanoate CAS Name: 3-[4-[(2-chlorophenyl)-oxomethyl]-1-piperazin-1-iumyl]propanoate IUPAC Name: 3-[4-(2-chlorobenzoyl)piperazin-1-ium-1-yl]propanoate Traditional Name: 3-[4-(2-chlorobenzoyl)piperazin-1-ium-1-yl]propionate Formula: C14H17ClN2O3 MolecularWeight: 296.74938

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC(=O)[O-])C(=O)C2=CC=CC=C2Cl

Isomeric SMILES

C1CN(CC[NH+]1CCC(=O)[O-])C(=O)C2=CC=CC=C2Cl

InChI

InChI=1S/C14H17ClN2O3/c15-12-4-2-1-3-11(12)14(20)17-9-7-16(8-10-17)6-5-13(18)19/h1-4H,5-10H2,(H,18,19)