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

Systemtic Name: methyl (2R)-2-(2-chlorophenyl)-2-[4-(2-methoxyphenyl)carbonylpiperazin-1-ium-1-yl]ethanoate Openeye Name: methyl (2R)-2-(2-chlorophenyl)-2-[4-(2-methoxybenzoyl)piperazin-1-ium-1-yl]acetate CAS Name: (2R)-2-(2-chlorophenyl)-2-[4-[(2-methoxyphenyl)-oxomethyl]-1-piperazin-1-iumyl]acetic acid methyl ester IUPAC Name: methyl (2R)-2-(2-chlorophenyl)-2-[4-(2-methoxybenzoyl)piperazin-1-ium-1-yl]acetate Traditional Name: (2R)-2-(2-chlorophenyl)-2-(4-o-anisoylpiperazin-1-ium-1-yl)acetic acid methyl ester Formula: C21H24ClN2O4+ MolecularWeight: 403.87926

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3Cl)C(=O)OC

Isomeric SMILES

COC1=CC=CC=C1C(=O)N2CC[NH+](CC2)[C@H](C3=CC=CC=C3Cl)C(=O)OC

InChI

InChI=1S/C21H23ClN2O4/c1-27-18-10-6-4-8-16(18)20(25)24-13-11-23(12-14-24)19(21(26)28-2)15-7-3-5-9-17(15)22/h3-10,19H,11-14H2,1-2H3/p+1/t19-/m1/s1