3-fluoranyl-4-methoxy-N-[(2R)-4-(4-phenylpiperazin-1-ium-1-yl)butan-2-yl]benzamide

Systemtic Name: 3-fluoranyl-4-methoxy-N-[(2R)-4-(4-phenylpiperazin-1-ium-1-yl)butan-2-yl]benzamide Openeye Name: 3-fluoro-4-methoxy-N-[(1R)-1-methyl-3-(4-phenylpiperazin-1-ium-1-yl)propyl]benzamide CAS Name: 3-fluoro-4-methoxy-N-[(2R)-4-(4-phenyl-1-piperazin-1-iumyl)butan-2-yl]benzamide IUPAC Name: 3-fluoro-4-methoxy-N-[(2R)-4-(4-phenylpiperazin-1-ium-1-yl)butan-2-yl]benzamide Traditional Name: 3-fluoro-4-methoxy-N-[(1R)-1-methyl-3-(4-phenylpiperazin-1-ium-1-yl)propyl]benzamide Formula: C22H29FN3O2+ MolecularWeight: 386.482963

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28FN3O2/c1-17(24-22(27)18-8-9-21(28-2)20(23)16-18)10-11-25-12-14-26(15-13-25)19-6-4-3-5-7-19/h3-9,16-17H,10-15H2,1-2H3,(H,24,27)/p+1/t17-/m1/s1