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

Systemtic Name: ethyl (2R)-2-(4-chlorophenyl)-2-[4-(4-ethoxyphenyl)carbonylpiperazin-1-ium-1-yl]ethanoate Openeye Name: ethyl (2R)-2-(4-chlorophenyl)-2-[4-(4-ethoxybenzoyl)piperazin-1-ium-1-yl]acetate CAS Name: (2R)-2-(4-chlorophenyl)-2-[4-[(4-ethoxyphenyl)-oxomethyl]-1-piperazin-1-iumyl]acetic acid ethyl ester IUPAC Name: ethyl (2R)-2-(4-chlorophenyl)-2-[4-(4-ethoxybenzoyl)piperazin-1-ium-1-yl]acetate Traditional Name: (2R)-2-(4-chlorophenyl)-2-[4-(4-ethoxybenzoyl)piperazin-1-ium-1-yl]acetic acid ethyl ester Formula: C23H28ClN2O4+ MolecularWeight: 431.93242

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)C(C3=CC=C(C=C3)Cl)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)[C@H](C3=CC=C(C=C3)Cl)C(=O)OCC

InChI

InChI=1S/C23H27ClN2O4/c1-3-29-20-11-7-18(8-12-20)22(27)26-15-13-25(14-16-26)21(23(28)30-4-2)17-5-9-19(24)10-6-17/h5-12,21H,3-4,13-16H2,1-2H3/p+1/t21-/m1/s1