ethyl (2R)-2-(4-chlorophenyl)-2-[4-(2-methylquinolin-4-yl)carbonylpiperazin-1-ium-1-yl]ethanoate

Systemtic Name: ethyl (2R)-2-(4-chlorophenyl)-2-[4-(2-methylquinolin-4-yl)carbonylpiperazin-1-ium-1-yl]ethanoate Openeye Name: ethyl (2R)-2-(4-chlorophenyl)-2-[4-(2-methylquinoline-4-carbonyl)piperazin-1-ium-1-yl]acetate CAS Name: (2R)-2-(4-chlorophenyl)-2-[4-[(2-methyl-4-quinolinyl)-oxomethyl]-1-piperazin-1-iumyl]acetic acid ethyl ester IUPAC Name: ethyl (2R)-2-(4-chlorophenyl)-2-[4-(2-methylquinoline-4-carbonyl)piperazin-1-ium-1-yl]acetate Traditional Name: (2R)-2-(4-chlorophenyl)-2-[4-(2-methylquinoline-4-carbonyl)piperazin-1-ium-1-yl]acetic acid ethyl ester Formula: C25H27ClN3O3+ MolecularWeight: 452.95318

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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(=NC4=CC=CC=C43)C

Isomeric SMILES

CCOC(=O)[C@@H](C1=CC=C(C=C1)Cl)[NH+]2CCN(CC2)C(=O)C3=CC(=NC4=CC=CC=C43)C

InChI

InChI=1S/C25H26ClN3O3/c1-3-32-25(31)23(18-8-10-19(26)11-9-18)28-12-14-29(15-13-28)24(30)21-16-17(2)27-22-7-5-4-6-20(21)22/h4-11,16,23H,3,12-15H2,1-2H3/p+1/t23-/m1/s1