methyl (2R)-2-(2-chlorophenyl)-2-[4-(4-iodophenyl)carbonylpiperazin-1-ium-1-yl]ethanoate

Systemtic Name: methyl (2R)-2-(2-chlorophenyl)-2-[4-(4-iodophenyl)carbonylpiperazin-1-ium-1-yl]ethanoate Openeye Name: methyl (2R)-2-(2-chlorophenyl)-2-[4-(4-iodobenzoyl)piperazin-1-ium-1-yl]acetate CAS Name: (2R)-2-(2-chlorophenyl)-2-[4-[(4-iodophenyl)-oxomethyl]-1-piperazin-1-iumyl]acetic acid methyl ester IUPAC Name: methyl (2R)-2-(2-chlorophenyl)-2-[4-(4-iodobenzoyl)piperazin-1-ium-1-yl]acetate Traditional Name: (2R)-2-(2-chlorophenyl)-2-[4-(4-iodobenzoyl)piperazin-1-ium-1-yl]acetic acid methyl ester Formula: C20H21ClIN2O3+ MolecularWeight: 499.74981

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1Cl)[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)I

Isomeric SMILES

COC(=O)[C@@H](C1=CC=CC=C1Cl)[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)I

InChI

InChI=1S/C20H20ClIN2O3/c1-27-20(26)18(16-4-2-3-5-17(16)21)23-10-12-24(13-11-23)19(25)14-6-8-15(22)9-7-14/h2-9,18H,10-13H2,1H3/p+1/t18-/m1/s1