methyl N-[(2R)-2-[4-[bis(4-fluorophenyl)methyl]piperazine-1,4-diium-1-yl]propanoyl]carbamate

Systemtic Name: methyl N-[(2R)-2-[4-[bis(4-fluorophenyl)methyl]piperazine-1,4-diium-1-yl]propanoyl]carbamate Openeye Name: methyl N-[(2R)-2-[4-[bis(4-fluorophenyl)methyl]piperazine-1,4-diium-1-yl]propanoyl]carbamate CAS Name: N-[(2R)-2-[4-[bis(4-fluorophenyl)methyl]-1-piperazine-1,4-diiumyl]-1-oxopropyl]carbamic acid methyl ester IUPAC Name: methyl N-[(2R)-2-[4-[bis(4-fluorophenyl)methyl]piperazine-1,4-diium-1-yl]propanoyl]carbamate Traditional Name: N-[(2R)-2-[4-[bis(4-fluorophenyl)methyl]piperazine-1,4-diium-1-yl]propanoyl]carbamic acid methyl ester Formula: C22H27F2N3O3+2 MolecularWeight: 419.464886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25F2N3O3/c1-15(21(28)25-22(29)30-2)26-11-13-27(14-12-26)20(16-3-7-18(23)8-4-16)17-5-9-19(24)10-6-17/h3-10,15,20H,11-14H2,1-2H3,(H,25,28,29)/p+2/t15-/m1/s1