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

Systemtic Name: 2-[(2S)-1-[(2-fluoranyl-4-methoxy-phenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-methyl-N-(pyrazin-2-ylmethyl)ethanamide Openeye Name: 2-[(2S)-1-[(2-fluoro-4-methoxy-phenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-methyl-N-(pyrazin-2-ylmethyl)acetamide CAS Name: 2-[(2S)-1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-methyl-N-(2-pyrazinylmethyl)acetamide IUPAC Name: 2-[(2S)-1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-methyl-N-(pyrazin-2-ylmethyl)acetamide Traditional Name: 2-[(2S)-1-(2-fluoro-4-methoxy-benzyl)-3-keto-piperazin-1-ium-2-yl]-N-methyl-N-(pyrazin-2-ylmethyl)acetamide Formula: C20H25FN5O3+ MolecularWeight: 402.442603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24FN5O3/c1-25(13-15-11-22-5-6-23-15)19(27)10-18-20(28)24-7-8-26(18)12-14-3-4-16(29-2)9-17(14)21/h3-6,9,11,18H,7-8,10,12-13H2,1-2H3,(H,24,28)/p+1/t18-/m0/s1