2-[1,3-benzothiazol-2-yl-[2,6-bis(fluoranyl)phenyl]carbonyl-amino]ethyl-diethyl-azanium

Systemtic Name: 2-[1,3-benzothiazol-2-yl-[2,6-bis(fluoranyl)phenyl]carbonyl-amino]ethyl-diethyl-azanium Openeye Name: 2-[1,3-benzothiazol-2-yl-(2,6-difluorobenzoyl)amino]ethyl-diethyl-ammonium CAS Name: 2-[1,3-benzothiazol-2-yl-[(2,6-difluorophenyl)-oxomethyl]amino]ethyl-diethylammonium IUPAC Name: 2-[1,3-benzothiazol-2-yl-(2,6-difluorobenzoyl)amino]ethyl-diethylazanium Traditional Name: 2-[1,3-benzothiazol-2-yl-(2,6-difluorobenzoyl)amino]ethyl-diethyl-ammonium Formula: C20H22F2N3OS+ MolecularWeight: 390.469986

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN(C1=NC2=CC=CC=C2S1)C(=O)C3=C(C=CC=C3F)F

Isomeric SMILES

CC[NH+](CC)CCN(C1=NC2=CC=CC=C2S1)C(=O)C3=C(C=CC=C3F)F

InChI

InChI=1S/C20H21F2N3OS/c1-3-24(4-2)12-13-25(19(26)18-14(21)8-7-9-15(18)22)20-23-16-10-5-6-11-17(16)27-20/h5-11H,3-4,12-13H2,1-2H3/p+1