2-[(2R)-1-[(4-fluorophenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(3-pyridin-3-yloxypropyl)ethanamide

Systemtic Name: 2-[(2R)-1-[(4-fluorophenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(3-pyridin-3-yloxypropyl)ethanamide Openeye Name: 2-[(2R)-1-[(4-fluorophenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-[3-(3-pyridyloxy)propyl]acetamide CAS Name: 2-[(2R)-1-[(4-fluorophenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-[3-(3-pyridinyloxy)propyl]acetamide IUPAC Name: 2-[(2R)-1-[(4-fluorophenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-(3-pyridin-3-yloxypropyl)acetamide Traditional Name: 2-[(2R)-1-(4-fluorobenzyl)-3-keto-piperazin-1-ium-2-yl]-N-[3-(3-pyridyloxy)propyl]acetamide Formula: C21H26FN4O3+ MolecularWeight: 401.454543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](C(C(=O)N1)CC(=O)NCCCOC2=CN=CC=C2)CC3=CC=C(C=C3)F

Isomeric SMILES

C1C[NH+]([C@@H](C(=O)N1)CC(=O)NCCCOC2=CN=CC=C2)CC3=CC=C(C=C3)F

InChI

InChI=1S/C21H25FN4O3/c22-17-6-4-16(5-7-17)15-26-11-10-25-21(28)19(26)13-20(27)24-9-2-12-29-18-3-1-8-23-14-18/h1,3-8,14,19H,2,9-13,15H2,(H,24,27)(H,25,28)/p+1/t19-/m1/s1