3-[[3,4-bis(fluoranyl)phenyl]-propylsulfonyl-amino]propylazanium

Systemtic Name: 3-[[3,4-bis(fluoranyl)phenyl]-propylsulfonyl-amino]propylazanium Openeye Name: 3-(3,4-difluoro-N-propylsulfonyl-anilino)propylammonium CAS Name: 3-(3,4-difluoro-N-propylsulfonylanilino)propylammonium IUPAC Name: 3-(3,4-difluoro-N-propylsulfonylanilino)propylazanium Traditional Name: 3-(3,4-difluoro-N-propylsulfonyl-anilino)propylammonium Formula: C12H19F2N2O2S+ MolecularWeight: 293.353266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18F2N2O2S/c1-2-8-19(17,18)16(7-3-6-15)10-4-5-11(13)12(14)9-10/h4-5,9H,2-3,6-8,15H2,1H3/p+1