ethyl (2R)-2-(4-chlorophenyl)-2-(4-quinolin-8-ylcarbonylpiperazin-1-ium-1-yl)ethanoate

Systemtic Name: ethyl (2R)-2-(4-chlorophenyl)-2-(4-quinolin-8-ylcarbonylpiperazin-1-ium-1-yl)ethanoate Openeye Name: ethyl (2R)-2-(4-chlorophenyl)-2-[4-(quinoline-8-carbonyl)piperazin-1-ium-1-yl]acetate CAS Name: (2R)-2-(4-chlorophenyl)-2-[4-[oxo(8-quinolinyl)methyl]-1-piperazin-1-iumyl]acetic acid ethyl ester IUPAC Name: ethyl (2R)-2-(4-chlorophenyl)-2-[4-(quinoline-8-carbonyl)piperazin-1-ium-1-yl]acetate Traditional Name: (2R)-2-(4-chlorophenyl)-2-[4-(quinoline-8-carbonyl)piperazin-1-ium-1-yl]acetic acid ethyl ester Formula: C24H25ClN3O3+ MolecularWeight: 438.9266

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=C(C=C1)Cl)[NH+]2CCN(CC2)C(=O)C3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CCOC(=O)[C@@H](C1=CC=C(C=C1)Cl)[NH+]2CCN(CC2)C(=O)C3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C24H24ClN3O3/c1-2-31-24(30)22(18-8-10-19(25)11-9-18)27-13-15-28(16-14-27)23(29)20-7-3-5-17-6-4-12-26-21(17)20/h3-12,22H,2,13-16H2,1H3/p+1/t22-/m1/s1