methyl (2R)-2-(4-chlorophenyl)-2-[4-(4-methyl-3-nitro-phenyl)carbonylpiperazin-1-ium-1-yl]ethanoate

Systemtic Name: methyl (2R)-2-(4-chlorophenyl)-2-[4-(4-methyl-3-nitro-phenyl)carbonylpiperazin-1-ium-1-yl]ethanoate Openeye Name: methyl (2R)-2-(4-chlorophenyl)-2-[4-(4-methyl-3-nitro-benzoyl)piperazin-1-ium-1-yl]acetate CAS Name: (2R)-2-(4-chlorophenyl)-2-[4-[(4-methyl-3-nitrophenyl)-oxomethyl]-1-piperazin-1-iumyl]acetic acid methyl ester IUPAC Name: methyl (2R)-2-(4-chlorophenyl)-2-[4-(4-methyl-3-nitrobenzoyl)piperazin-1-ium-1-yl]acetate Traditional Name: (2R)-2-(4-chlorophenyl)-2-[4-(4-methyl-3-nitro-benzoyl)piperazin-1-ium-1-yl]acetic acid methyl ester Formula: C21H23ClN3O5+ MolecularWeight: 432.87742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)C(C3=CC=C(C=C3)Cl)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)[C@H](C3=CC=C(C=C3)Cl)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H22ClN3O5/c1-14-3-4-16(13-18(14)25(28)29)20(26)24-11-9-23(10-12-24)19(21(27)30-2)15-5-7-17(22)8-6-15/h3-8,13,19H,9-12H2,1-2H3/p+1/t19-/m1/s1