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

Systemtic Name: 2-[(2R)-1-[(2-fluoranyl-4-methoxy-phenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-methyl-N-(pyridin-3-ylmethyl)ethanamide Openeye Name: 2-[(2R)-1-[(2-fluoro-4-methoxy-phenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-methyl-N-(3-pyridylmethyl)acetamide CAS Name: 2-[(2R)-1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-methyl-N-(3-pyridinylmethyl)acetamide IUPAC Name: 2-[(2R)-1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-methyl-N-(pyridin-3-ylmethyl)acetamide Traditional Name: 2-[(2R)-1-(2-fluoro-4-methoxy-benzyl)-3-keto-piperazin-1-ium-2-yl]-N-methyl-N-(3-pyridylmethyl)acetamide Formula: C21H26FN4O3+ MolecularWeight: 401.454543

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN=CC=C1)C(=O)CC2C(=O)NCC[NH+]2CC3=C(C=C(C=C3)OC)F

Isomeric SMILES

CN(CC1=CN=CC=C1)C(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=C(C=C(C=C3)OC)F

InChI

InChI=1S/C21H25FN4O3/c1-25(13-15-4-3-7-23-12-15)20(27)11-19-21(28)24-8-9-26(19)14-16-5-6-17(29-2)10-18(16)22/h3-7,10,12,19H,8-9,11,13-14H2,1-2H3,(H,24,28)/p+1/t19-/m1/s1