methyl 3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propanoate

Systemtic Name: methyl 3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propanoate Openeye Name: methyl 3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propanoate CAS Name: 3-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propanoate Traditional Name: 3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propionic acid methyl ester Formula: C14H20ClN2O2+ MolecularWeight: 283.7738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19ClN2O2/c1-19-14(18)5-6-16-7-9-17(10-8-16)13-4-2-3-12(15)11-13/h2-4,11H,5-10H2,1H3/p+1