2-[(2R)-1-[(2-fluoranyl-4-methoxy-phenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(2-methyl-1-oxidanyl-propan-2-yl)ethanamide

Systemtic Name: 2-[(2R)-1-[(2-fluoranyl-4-methoxy-phenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(2-methyl-1-oxidanyl-propan-2-yl)ethanamide Openeye Name: 2-[(2R)-1-[(2-fluoro-4-methoxy-phenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-(2-hydroxy-1,1-dimethyl-ethyl)acetamide CAS Name: 2-[(2R)-1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-(1-hydroxy-2-methylpropan-2-yl)acetamide IUPAC Name: 2-[(2R)-1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-(1-hydroxy-2-methylpropan-2-yl)acetamide Traditional Name: 2-[(2R)-1-(2-fluoro-4-methoxy-benzyl)-3-keto-piperazin-1-ium-2-yl]-N-(2-hydroxy-1,1-dimethyl-ethyl)acetamide Formula: C18H27FN3O4+ MolecularWeight: 368.423083

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO)NC(=O)CC1C(=O)NCC[NH+]1CC2=C(C=C(C=C2)OC)F

Isomeric SMILES

CC(C)(CO)NC(=O)C[C@@H]1C(=O)NCC[NH+]1CC2=C(C=C(C=C2)OC)F

InChI

InChI=1S/C18H26FN3O4/c1-18(2,11-23)21-16(24)9-15-17(25)20-6-7-22(15)10-12-4-5-13(26-3)8-14(12)19/h4-5,8,15,23H,6-7,9-11H2,1-3H3,(H,20,25)(H,21,24)/p+1/t15-/m1/s1