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

Systemtic Name: N-ethyl-2-[(2R)-1-[(2-fluoranyl-4-methoxy-phenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(pyridin-4-ylmethyl)ethanamide Openeye Name: N-ethyl-2-[(2R)-1-[(2-fluoro-4-methoxy-phenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-(4-pyridylmethyl)acetamide CAS Name: N-ethyl-2-[(2R)-1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-(pyridin-4-ylmethyl)acetamide IUPAC Name: N-ethyl-2-[(2R)-1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-(pyridin-4-ylmethyl)acetamide Traditional Name: N-ethyl-2-[(2R)-1-(2-fluoro-4-methoxy-benzyl)-3-keto-piperazin-1-ium-2-yl]-N-(4-pyridylmethyl)acetamide Formula: C22H28FN4O3+ MolecularWeight: 415.481123

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27FN4O3/c1-3-26(14-16-6-8-24-9-7-16)21(28)13-20-22(29)25-10-11-27(20)15-17-4-5-18(30-2)12-19(17)23/h4-9,12,20H,3,10-11,13-15H2,1-2H3,(H,25,29)/p+1/t20-/m1/s1