dimethyl 2-[[4-(diphenylmethyl)piperazine-1,4-diium-1-yl]methyl]-2-fluoranyl-propanedioate

Systemtic Name: dimethyl 2-[[4-(diphenylmethyl)piperazine-1,4-diium-1-yl]methyl]-2-fluoranyl-propanedioate Openeye Name: dimethyl 2-[(4-benzhydrylpiperazine-1,4-diium-1-yl)methyl]-2-fluoro-propanedioate CAS Name: 2-[[4-(diphenylmethyl)-1-piperazine-1,4-diiumyl]methyl]-2-fluoropropanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(4-benzhydrylpiperazine-1,4-diium-1-yl)methyl]-2-fluoropropanedioate Traditional Name: 2-[(4-benzhydrylpiperazine-1,4-diium-1-yl)methyl]-2-fluoro-malonic acid dimethyl ester Formula: C23H29FN2O4+2 MolecularWeight: 416.485763

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C[NH+]1CC[NH+](CC1)C(C2=CC=CC=C2)C3=CC=CC=C3)(C(=O)OC)F

Isomeric SMILES

COC(=O)C(C[NH+]1CC[NH+](CC1)C(C2=CC=CC=C2)C3=CC=CC=C3)(C(=O)OC)F

InChI

InChI=1S/C23H27FN2O4/c1-29-21(27)23(24,22(28)30-2)17-25-13-15-26(16-14-25)20(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,20H,13-17H2,1-2H3/p+2