3-[4-[2-(dimethylamino)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-N-(3-fluorophenyl)propanamide

Systemtic Name: 3-[4-[2-(dimethylamino)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-N-(3-fluorophenyl)propanamide Openeye Name: 3-[4-[2-(dimethylamino)-2-oxo-ethyl]piperazin-4-ium-1-yl]-N-(3-fluorophenyl)propanamide CAS Name: 3-[4-[2-(dimethylamino)-2-oxoethyl]-1-piperazin-4-iumyl]-N-(3-fluorophenyl)propanamide IUPAC Name: 3-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-4-ium-1-yl]-N-(3-fluorophenyl)propanamide Traditional Name: 3-[4-[2-(dimethylamino)-2-keto-ethyl]piperazin-4-ium-1-yl]-N-(3-fluorophenyl)propionamide Formula: C17H26FN4O2+ MolecularWeight: 337.412343

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C[NH+]1CCN(CC1)CCC(=O)NC2=CC(=CC=C2)F

Isomeric SMILES

CN(C)C(=O)C[NH+]1CCN(CC1)CCC(=O)NC2=CC(=CC=C2)F

InChI

InChI=1S/C17H25FN4O2/c1-20(2)17(24)13-22-10-8-21(9-11-22)7-6-16(23)19-15-5-3-4-14(18)12-15/h3-5,12H,6-11,13H2,1-2H3,(H,19,23)/p+1