methyl (2R)-2-(4-chlorophenyl)-2-(4-pyridin-3-ylcarbonylpiperazin-1-ium-1-yl)ethanoate

Systemtic Name: methyl (2R)-2-(4-chlorophenyl)-2-(4-pyridin-3-ylcarbonylpiperazin-1-ium-1-yl)ethanoate Openeye Name: methyl (2R)-2-(4-chlorophenyl)-2-[4-(pyridine-3-carbonyl)piperazin-1-ium-1-yl]acetate CAS Name: (2R)-2-(4-chlorophenyl)-2-[4-[oxo(3-pyridinyl)methyl]-1-piperazin-1-iumyl]acetic acid methyl ester IUPAC Name: methyl (2R)-2-(4-chlorophenyl)-2-[4-(pyridine-3-carbonyl)piperazin-1-ium-1-yl]acetate Traditional Name: (2R)-2-(4-chlorophenyl)-2-(4-nicotinoylpiperazin-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=C(C=C1)Cl)[NH+]2CCN(CC2)C(=O)C3=CN=CC=C3

Isomeric SMILES

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

InChI

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