methyl 2-[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethanoylamino]ethanoate

Systemtic Name: methyl 2-[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethanoylamino]ethanoate Openeye Name: methyl 2-[[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetyl]amino]acetate CAS Name: 2-[[2-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetyl]amino]acetate Traditional Name: 2-[[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetyl]amino]acetic acid methyl ester Formula: C15H21ClN3O3+ MolecularWeight: 326.79854

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=O)C[NH+]1CCN(CC1)C2=CC(=CC=C2)Cl

Isomeric SMILES

COC(=O)CNC(=O)C[NH+]1CCN(CC1)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C15H20ClN3O3/c1-22-15(21)10-17-14(20)11-18-5-7-19(8-6-18)13-4-2-3-12(16)9-13/h2-4,9H,5-8,10-11H2,1H3,(H,17,20)/p+1