4-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-4-oxidanylidene-butanoate

Systemtic Name: 4-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-4-oxo-butanoate CAS Name: 4-[4-[(2-chlorophenyl)methyl]-1-piperazin-4-iumyl]-4-oxobutanoate IUPAC Name: 4-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-4-oxobutanoate Traditional Name: 4-[4-(2-chlorobenzyl)piperazin-4-ium-1-yl]-4-keto-butyrate Formula: C15H19ClN2O3 MolecularWeight: 310.77596

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2Cl)C(=O)CCC(=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2Cl)C(=O)CCC(=O)[O-]

InChI

InChI=1S/C15H19ClN2O3/c16-13-4-2-1-3-12(13)11-17-7-9-18(10-8-17)14(19)5-6-15(20)21/h1-4H,5-11H2,(H,20,21)