4-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]-N-(2-fluorophenyl)piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]-N-(2-fluorophenyl)piperazin-4-ium-1-carboxamide Openeye Name: 4-[2-(cyclopropylamino)-2-oxo-ethyl]-N-(2-fluorophenyl)piperazin-4-ium-1-carboxamide CAS Name: 4-[2-(cyclopropylamino)-2-oxoethyl]-N-(2-fluorophenyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[2-(cyclopropylamino)-2-oxoethyl]-N-(2-fluorophenyl)piperazin-4-ium-1-carboxamide Traditional Name: 4-[2-(cyclopropylamino)-2-keto-ethyl]-N-(2-fluorophenyl)piperazin-4-ium-1-carboxamide Formula: C16H22FN4O2+ MolecularWeight: 321.369883

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=O)NC3=CC=CC=C3F

Isomeric SMILES

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=O)NC3=CC=CC=C3F

InChI

InChI=1S/C16H21FN4O2/c17-13-3-1-2-4-14(13)19-16(23)21-9-7-20(8-10-21)11-15(22)18-12-5-6-12/h1-4,12H,5-11H2,(H,18,22)(H,19,23)/p+1