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

Systemtic Name: 2-[(2R)-1-[(2-fluoranyl-4-methoxy-phenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(2-propan-2-yloxyethyl)ethanamide Openeye Name: 2-[(2R)-1-[(2-fluoro-4-methoxy-phenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-(2-isopropoxyethyl)acetamide CAS Name: 2-[(2R)-1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-(2-propan-2-yloxyethyl)acetamide IUPAC Name: 2-[(2R)-1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-(2-propan-2-yloxyethyl)acetamide Traditional Name: 2-[(2R)-1-(2-fluoro-4-methoxy-benzyl)-3-keto-piperazin-1-ium-2-yl]-N-(2-isopropoxyethyl)acetamide Formula: C19H29FN3O4+ MolecularWeight: 382.449663

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28FN3O4/c1-13(2)27-9-7-21-18(24)11-17-19(25)22-6-8-23(17)12-14-4-5-15(26-3)10-16(14)20/h4-5,10,13,17H,6-9,11-12H2,1-3H3,(H,21,24)(H,22,25)/p+1/t17-/m1/s1