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

Systemtic Name: ethyl (2R)-2-(4-chlorophenyl)-2-[4-(1-phenylpyrazol-4-yl)carbonylpiperazin-1-ium-1-yl]ethanoate Openeye Name: ethyl (2R)-2-(4-chlorophenyl)-2-[4-(1-phenylpyrazole-4-carbonyl)piperazin-1-ium-1-yl]acetate CAS Name: (2R)-2-(4-chlorophenyl)-2-[4-[oxo-(1-phenyl-4-pyrazolyl)methyl]-1-piperazin-1-iumyl]acetic acid ethyl ester IUPAC Name: ethyl (2R)-2-(4-chlorophenyl)-2-[4-(1-phenylpyrazole-4-carbonyl)piperazin-1-ium-1-yl]acetate Traditional Name: (2R)-2-(4-chlorophenyl)-2-[4-(1-phenylpyrazole-4-carbonyl)piperazin-1-ium-1-yl]acetic acid ethyl ester Formula: C24H26ClN4O3+ MolecularWeight: 453.94124

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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=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C24H25ClN4O3/c1-2-32-24(31)22(18-8-10-20(25)11-9-18)27-12-14-28(15-13-27)23(30)19-16-26-29(17-19)21-6-4-3-5-7-21/h3-11,16-17,22H,2,12-15H2,1H3/p+1/t22-/m1/s1