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

Systemtic Name: methyl (2R)-2-(4-chlorophenyl)-2-(4-quinoxalin-2-ylcarbonylpiperazin-1-ium-1-yl)ethanoate Openeye Name: methyl (2R)-2-(4-chlorophenyl)-2-[4-(quinoxaline-2-carbonyl)piperazin-1-ium-1-yl]acetate CAS Name: (2R)-2-(4-chlorophenyl)-2-[4-[oxo(2-quinoxalinyl)methyl]-1-piperazin-1-iumyl]acetic acid methyl ester IUPAC Name: methyl (2R)-2-(4-chlorophenyl)-2-[4-(quinoxaline-2-carbonyl)piperazin-1-ium-1-yl]acetate Traditional Name: (2R)-2-(4-chlorophenyl)-2-[4-(quinoxaline-2-carbonyl)piperazin-1-ium-1-yl]acetic acid methyl ester Formula: C22H22ClN4O3+ MolecularWeight: 425.88808

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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=NC4=CC=CC=C4N=C3

Isomeric SMILES

COC(=O)[C@@H](C1=CC=C(C=C1)Cl)[NH+]2CCN(CC2)C(=O)C3=NC4=CC=CC=C4N=C3

InChI

InChI=1S/C22H21ClN4O3/c1-30-22(29)20(15-6-8-16(23)9-7-15)26-10-12-27(13-11-26)21(28)19-14-24-17-4-2-3-5-18(17)25-19/h2-9,14,20H,10-13H2,1H3/p+1/t20-/m1/s1