methyl 2-[4-(3,4-dichlorophenyl)piperazin-1-ium-1-yl]ethanoate

Systemtic Name: methyl 2-[4-(3,4-dichlorophenyl)piperazin-1-ium-1-yl]ethanoate Openeye Name: methyl 2-[4-(3,4-dichlorophenyl)piperazin-1-ium-1-yl]acetate CAS Name: 2-[4-(3,4-dichlorophenyl)-1-piperazin-1-iumyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-(3,4-dichlorophenyl)piperazin-1-ium-1-yl]acetate Traditional Name: 2-[4-(3,4-dichlorophenyl)piperazin-1-ium-1-yl]acetic acid methyl ester Formula: C13H17Cl2N2O2+ MolecularWeight: 304.19228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16Cl2N2O2/c1-19-13(18)9-16-4-6-17(7-5-16)10-2-3-11(14)12(15)8-10/h2-3,8H,4-7,9H2,1H3/p+1