dimethyl (2R)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]butanedioate

Systemtic Name: dimethyl (2R)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]butanedioate Openeye Name: dimethyl (2R)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]butanedioate CAS Name: (2R)-2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]butanedioic acid dimethyl ester IUPAC Name: dimethyl (2R)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]butanedioate Traditional Name: (2R)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]succinic acid dimethyl ester Formula: C16H22FN2O4+ MolecularWeight: 325.355283

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C(=O)OC)[NH+]1CCN(CC1)C2=CC=C(C=C2)F

Isomeric SMILES

COC(=O)C[C@H](C(=O)OC)[NH+]1CCN(CC1)C2=CC=C(C=C2)F

InChI

InChI=1S/C16H21FN2O4/c1-22-15(20)11-14(16(21)23-2)19-9-7-18(8-10-19)13-5-3-12(17)4-6-13/h3-6,14H,7-11H2,1-2H3/p+1/t14-/m1/s1