methyl (2R)-2-(4-chlorophenyl)-2-piperazin-4-ium-1-yl-ethanoate

Systemtic Name: methyl (2R)-2-(4-chlorophenyl)-2-piperazin-4-ium-1-yl-ethanoate Openeye Name: methyl (2R)-2-(4-chlorophenyl)-2-piperazin-4-ium-1-yl-acetate CAS Name: (2R)-2-(4-chlorophenyl)-2-(1-piperazin-4-iumyl)acetic acid methyl ester IUPAC Name: methyl (2R)-2-(4-chlorophenyl)-2-piperazin-4-ium-1-ylacetate Traditional Name: (2R)-2-(4-chlorophenyl)-2-piperazin-4-ium-1-yl-acetic acid methyl ester Formula: C13H18ClN2O2+ MolecularWeight: 269.74722

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=C(C=C1)Cl)N2CC[NH2+]CC2

Isomeric SMILES

COC(=O)[C@@H](C1=CC=C(C=C1)Cl)N2CC[NH2+]CC2

InChI

InChI=1S/C13H17ClN2O2/c1-18-13(17)12(16-8-6-15-7-9-16)10-2-4-11(14)5-3-10/h2-5,12,15H,6-9H2,1H3/p+1/t12-/m1/s1