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

Systemtic Name: methyl (2R)-2-(2-chlorophenyl)-2-(4-pyridin-4-ylcarbonylpiperazin-1-ium-1-yl)ethanoate Openeye Name: methyl (2R)-2-(2-chlorophenyl)-2-[4-(pyridine-4-carbonyl)piperazin-1-ium-1-yl]acetate CAS Name: (2R)-2-(2-chlorophenyl)-2-[4-[oxo(pyridin-4-yl)methyl]-1-piperazin-1-iumyl]acetic acid methyl ester IUPAC Name: methyl (2R)-2-(2-chlorophenyl)-2-[4-(pyridine-4-carbonyl)piperazin-1-ium-1-yl]acetate Traditional Name: (2R)-2-(2-chlorophenyl)-2-(4-isonicotinoylpiperazin-1-ium-1-yl)acetic acid methyl ester Formula: C19H21ClN3O3+ MolecularWeight: 374.84134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClN3O3/c1-26-19(25)17(15-4-2-3-5-16(15)20)22-10-12-23(13-11-22)18(24)14-6-8-21-9-7-14/h2-9,17H,10-13H2,1H3/p+1/t17-/m1/s1