2-[(2R)-1-[(2-fluoranyl-4-methoxy-phenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-methyl-N-(1H-pyrazol-5-ylmethyl)ethanamide

Systemtic Name: 2-[(2R)-1-[(2-fluoranyl-4-methoxy-phenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-methyl-N-(1H-pyrazol-5-ylmethyl)ethanamide Openeye Name: 2-[(2R)-1-[(2-fluoro-4-methoxy-phenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-methyl-N-(1H-pyrazol-5-ylmethyl)acetamide CAS Name: 2-[(2R)-1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-methyl-N-(1H-pyrazol-5-ylmethyl)acetamide IUPAC Name: 2-[(2R)-1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-methyl-N-(1H-pyrazol-5-ylmethyl)acetamide Traditional Name: 2-[(2R)-1-(2-fluoro-4-methoxy-benzyl)-3-keto-piperazin-1-ium-2-yl]-N-methyl-N-(1H-pyrazol-5-ylmethyl)acetamide Formula: C19H25FN5O3+ MolecularWeight: 390.431903

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=NN1)C(=O)CC2C(=O)NCC[NH+]2CC3=C(C=C(C=C3)OC)F

Isomeric SMILES

CN(CC1=CC=NN1)C(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=C(C=C(C=C3)OC)F

InChI

InChI=1S/C19H24FN5O3/c1-24(12-14-5-6-22-23-14)18(26)10-17-19(27)21-7-8-25(17)11-13-3-4-15(28-2)9-16(13)20/h3-6,9,17H,7-8,10-12H2,1-2H3,(H,21,27)(H,22,23)/p+1/t17-/m1/s1