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

Systemtic Name: 3-[[4,6-bis(fluoranyl)-1,3-benzothiazol-2-yl]-naphthalen-1-ylcarbonyl-amino]propyl-dimethyl-azanium Openeye Name: 3-[(4,6-difluoro-1,3-benzothiazol-2-yl)-(naphthalene-1-carbonyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(4,6-difluoro-1,3-benzothiazol-2-yl)-[1-naphthalenyl(oxo)methyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(4,6-difluoro-1,3-benzothiazol-2-yl)-(naphthalene-1-carbonyl)amino]propyl-dimethylazanium Traditional Name: 3-[(4,6-difluoro-1,3-benzothiazol-2-yl)-(1-naphthoyl)amino]propyl-dimethyl-ammonium Formula: C23H22F2N3OS+ MolecularWeight: 426.502086

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN(C1=NC2=C(C=C(C=C2S1)F)F)C(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

C[NH+](C)CCCN(C1=NC2=C(C=C(C=C2S1)F)F)C(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C23H21F2N3OS/c1-27(2)11-6-12-28(23-26-21-19(25)13-16(24)14-20(21)30-23)22(29)18-10-5-8-15-7-3-4-9-17(15)18/h3-5,7-10,13-14H,6,11-12H2,1-2H3/p+1