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

Systemtic Name: 2-[(2R)-1-[(2-fluoranyl-4-methoxy-phenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-methyl-N-(oxan-4-ylmethyl)ethanamide Openeye Name: 2-[(2R)-1-[(2-fluoro-4-methoxy-phenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-methyl-N-(tetrahydropyran-4-ylmethyl)acetamide CAS Name: 2-[(2R)-1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-methyl-N-(4-oxanylmethyl)acetamide IUPAC Name: 2-[(2R)-1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-methyl-N-(oxan-4-ylmethyl)acetamide Traditional Name: 2-[(2R)-1-(2-fluoro-4-methoxy-benzyl)-3-keto-piperazin-1-ium-2-yl]-N-methyl-N-(tetrahydropyran-4-ylmethyl)acetamide Formula: C21H31FN3O4+ MolecularWeight: 408.486943

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1CCOCC1)C(=O)CC2C(=O)NCC[NH+]2CC3=C(C=C(C=C3)OC)F

Isomeric SMILES

CN(CC1CCOCC1)C(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=C(C=C(C=C3)OC)F

InChI

InChI=1S/C21H30FN3O4/c1-24(13-15-5-9-29-10-6-15)20(26)12-19-21(27)23-7-8-25(19)14-16-3-4-17(28-2)11-18(16)22/h3-4,11,15,19H,5-10,12-14H2,1-2H3,(H,23,27)/p+1/t19-/m1/s1