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

Systemtic Name: 2-[(2R)-1-[(2-fluoranyl-4-methoxy-phenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(pyridin-3-ylmethyl)ethanamide Openeye Name: 2-[(2R)-1-[(2-fluoro-4-methoxy-phenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-(3-pyridylmethyl)acetamide CAS Name: 2-[(2R)-1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-(3-pyridinylmethyl)acetamide IUPAC Name: 2-[(2R)-1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-(pyridin-3-ylmethyl)acetamide Traditional Name: 2-[(2R)-1-(2-fluoro-4-methoxy-benzyl)-3-keto-piperazin-1-ium-2-yl]-N-(3-pyridylmethyl)acetamide Formula: C20H24FN4O3+ MolecularWeight: 387.427963

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C[NH+]2CCNC(=O)C2CC(=O)NCC3=CN=CC=C3)F

Isomeric SMILES

COC1=CC(=C(C=C1)C[NH+]2CCNC(=O)[C@H]2CC(=O)NCC3=CN=CC=C3)F

InChI

InChI=1S/C20H23FN4O3/c1-28-16-5-4-15(17(21)9-16)13-25-8-7-23-20(27)18(25)10-19(26)24-12-14-3-2-6-22-11-14/h2-6,9,11,18H,7-8,10,12-13H2,1H3,(H,23,27)(H,24,26)/p+1/t18-/m1/s1