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

Systemtic Name: methyl (2R)-2-(2-chlorophenyl)-2-(4-quinolin-2-ylcarbonylpiperazin-1-ium-1-yl)ethanoate Openeye Name: methyl (2R)-2-(2-chlorophenyl)-2-[4-(quinoline-2-carbonyl)piperazin-1-ium-1-yl]acetate CAS Name: (2R)-2-(2-chlorophenyl)-2-[4-[oxo(2-quinolinyl)methyl]-1-piperazin-1-iumyl]acetic acid methyl ester IUPAC Name: methyl (2R)-2-(2-chlorophenyl)-2-[4-(quinoline-2-carbonyl)piperazin-1-ium-1-yl]acetate Traditional Name: (2R)-2-(2-chlorophenyl)-2-(4-quinaldoylpiperazin-1-ium-1-yl)acetic acid methyl ester Formula: C23H23ClN3O3+ MolecularWeight: 424.90002

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1Cl)[NH+]2CCN(CC2)C(=O)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

COC(=O)[C@@H](C1=CC=CC=C1Cl)[NH+]2CCN(CC2)C(=O)C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C23H22ClN3O3/c1-30-23(29)21(17-7-3-4-8-18(17)24)26-12-14-27(15-13-26)22(28)20-11-10-16-6-2-5-9-19(16)25-20/h2-11,21H,12-15H2,1H3/p+1/t21-/m1/s1