methyl 2-[(2R)-1-[2-(4-chloranylphenoxy)ethyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoate

Systemtic Name: methyl 2-[(2R)-1-[2-(4-chloranylphenoxy)ethyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoate Openeye Name: methyl 2-[(2R)-1-[2-(4-chlorophenoxy)ethyl]-3-oxo-piperazin-1-ium-2-yl]acetate CAS Name: 2-[(2R)-1-[2-(4-chlorophenoxy)ethyl]-3-oxo-2-piperazin-1-iumyl]acetic acid methyl ester IUPAC Name: methyl 2-[(2R)-1-[2-(4-chlorophenoxy)ethyl]-3-oxopiperazin-1-ium-2-yl]acetate Traditional Name: 2-[(2R)-1-[2-(4-chlorophenoxy)ethyl]-3-keto-piperazin-1-ium-2-yl]acetic acid methyl ester Formula: C15H20ClN2O4+ MolecularWeight: 327.7833

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1C(=O)NCC[NH+]1CCOC2=CC=C(C=C2)Cl

Isomeric SMILES

COC(=O)C[C@@H]1C(=O)NCC[NH+]1CCOC2=CC=C(C=C2)Cl

InChI

InChI=1S/C15H19ClN2O4/c1-21-14(19)10-13-15(20)17-6-7-18(13)8-9-22-12-4-2-11(16)3-5-12/h2-5,13H,6-10H2,1H3,(H,17,20)/p+1/t13-/m1/s1