3-[(3-chloranyl-4-fluoranyl-phenyl)-propanoyl-amino]propylazanium

Systemtic Name: 3-[(3-chloranyl-4-fluoranyl-phenyl)-propanoyl-amino]propylazanium Openeye Name: 3-(3-chloro-4-fluoro-N-propanoyl-anilino)propylammonium CAS Name: 3-[3-chloro-4-fluoro-N-(1-oxopropyl)anilino]propylammonium IUPAC Name: 3-(3-chloro-4-fluoro-N-propanoylanilino)propylazanium Traditional Name: 3-(3-chloro-4-fluoro-N-propionyl-anilino)propylammonium Formula: C12H17ClFN2O+ MolecularWeight: 259.727583

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(CCC[NH3+])C1=CC(=C(C=C1)F)Cl

Isomeric SMILES

CCC(=O)N(CCC[NH3+])C1=CC(=C(C=C1)F)Cl

InChI

InChI=1S/C12H16ClFN2O/c1-2-12(17)16(7-3-6-15)9-4-5-11(14)10(13)8-9/h4-5,8H,2-3,6-7,15H2,1H3/p+1