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

Systemtic Name: methyl (2R)-2-(2-chlorophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]ethanoate Openeye Name: methyl (2R)-2-(2-chlorophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetate CAS Name: (2R)-2-(2-chlorophenyl)-2-[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]acetic acid methyl ester IUPAC Name: methyl (2R)-2-(2-chlorophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetate Traditional Name: (2R)-2-(2-chlorophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetic acid methyl ester Formula: C19H22ClN2O3+ MolecularWeight: 361.84258

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1Cl)[NH+]2CCN(CC2)C3=CC=CC=C3O

Isomeric SMILES

COC(=O)[C@@H](C1=CC=CC=C1Cl)[NH+]2CCN(CC2)C3=CC=CC=C3O

InChI

InChI=1S/C19H21ClN2O3/c1-25-19(24)18(14-6-2-3-7-15(14)20)22-12-10-21(11-13-22)16-8-4-5-9-17(16)23/h2-9,18,23H,10-13H2,1H3/p+1/t18-/m1/s1