4-fluoranyl-N-[(1S,2R)-1-(4-methylpiperazine-1,4-diium-1-yl)-1-phenyl-propan-2-yl]benzamide

Systemtic Name: 4-fluoranyl-N-[(1S,2R)-1-(4-methylpiperazine-1,4-diium-1-yl)-1-phenyl-propan-2-yl]benzamide Openeye Name: 4-fluoro-N-[(1R,2S)-1-methyl-2-(4-methylpiperazine-1,4-diium-1-yl)-2-phenyl-ethyl]benzamide CAS Name: 4-fluoro-N-[(1S,2R)-1-(4-methyl-1-piperazine-1,4-diiumyl)-1-phenylpropan-2-yl]benzamide IUPAC Name: 4-fluoro-N-[(1S,2R)-1-(4-methylpiperazine-1,4-diium-1-yl)-1-phenylpropan-2-yl]benzamide Traditional Name: 4-fluoro-N-[(1R,2S)-1-methyl-2-(4-methylpiperazine-1,4-diium-1-yl)-2-phenyl-ethyl]benzamide Formula: C21H28FN3O+2 MolecularWeight: 357.464923

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CC=C1)[NH+]2CC[NH+](CC2)C)NC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C[C@H]([C@H](C1=CC=CC=C1)[NH+]2CC[NH+](CC2)C)NC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H26FN3O/c1-16(23-21(26)18-8-10-19(22)11-9-18)20(17-6-4-3-5-7-17)25-14-12-24(2)13-15-25/h3-11,16,20H,12-15H2,1-2H3,(H,23,26)/p+2/t16-,20-/m1/s1