2-[[4,6-bis(fluoranyl)-1,3-benzothiazol-2-yl]-naphthalen-2-ylcarbonyl-amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[4,6-bis(fluoranyl)-1,3-benzothiazol-2-yl]-naphthalen-2-ylcarbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[(4,6-difluoro-1,3-benzothiazol-2-yl)-(naphthalene-2-carbonyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(4,6-difluoro-1,3-benzothiazol-2-yl)-[2-naphthalenyl(oxo)methyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(4,6-difluoro-1,3-benzothiazol-2-yl)-(naphthalene-2-carbonyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(4,6-difluoro-1,3-benzothiazol-2-yl)-(2-naphthoyl)amino]ethyl-dimethyl-ammonium Formula: C22H20F2N3OS+ MolecularWeight: 412.475506

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(C1=NC2=C(C=C(C=C2S1)F)F)C(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C[NH+](C)CCN(C1=NC2=C(C=C(C=C2S1)F)F)C(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C22H19F2N3OS/c1-26(2)9-10-27(22-25-20-18(24)12-17(23)13-19(20)29-22)21(28)16-8-7-14-5-3-4-6-15(14)11-16/h3-8,11-13H,9-10H2,1-2H3/p+1