N-ethyl-N-[(3-fluoranyl-4-methoxy-phenyl)methyl]-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-ethyl-N-[(3-fluoranyl-4-methoxy-phenyl)methyl]-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide Openeye Name: N-ethyl-N-[(3-fluoro-4-methoxy-phenyl)methyl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide CAS Name: N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(3-oxo-1-piperazin-1-iumyl)acetamide IUPAC Name: N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide Traditional Name: N-ethyl-N-(3-fluoro-4-methoxy-benzyl)-2-(3-ketopiperazin-1-ium-1-yl)acetamide Formula: C16H23FN3O3+ MolecularWeight: 324.370523

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC(=C(C=C1)OC)F)C(=O)C[NH+]2CCNC(=O)C2

Isomeric SMILES

CCN(CC1=CC(=C(C=C1)OC)F)C(=O)C[NH+]2CCNC(=O)C2

InChI

InChI=1S/C16H22FN3O3/c1-3-20(9-12-4-5-14(23-2)13(17)8-12)16(22)11-19-7-6-18-15(21)10-19/h4-5,8H,3,6-7,9-11H2,1-2H3,(H,18,21)/p+1