methyl (2R)-2-(2-chlorophenyl)-2-[4-(3-phenylpropanoyl)piperazin-1-ium-1-yl]ethanoate

Systemtic Name: methyl (2R)-2-(2-chlorophenyl)-2-[4-(3-phenylpropanoyl)piperazin-1-ium-1-yl]ethanoate Openeye Name: methyl (2R)-2-(2-chlorophenyl)-2-[4-(3-phenylpropanoyl)piperazin-1-ium-1-yl]acetate CAS Name: (2R)-2-(2-chlorophenyl)-2-[4-(1-oxo-3-phenylpropyl)-1-piperazin-1-iumyl]acetic acid methyl ester IUPAC Name: methyl (2R)-2-(2-chlorophenyl)-2-[4-(3-phenylpropanoyl)piperazin-1-ium-1-yl]acetate Traditional Name: (2R)-2-(2-chlorophenyl)-2-(4-hydrocinnamoylpiperazin-1-ium-1-yl)acetic acid methyl ester Formula: C22H26ClN2O3+ MolecularWeight: 401.90644

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1Cl)[NH+]2CCN(CC2)C(=O)CCC3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@@H](C1=CC=CC=C1Cl)[NH+]2CCN(CC2)C(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C22H25ClN2O3/c1-28-22(27)21(18-9-5-6-10-19(18)23)25-15-13-24(14-16-25)20(26)12-11-17-7-3-2-4-8-17/h2-10,21H,11-16H2,1H3/p+1/t21-/m1/s1