3-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-(2-fluorophenyl)carbonyl-amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-(2-fluorophenyl)carbonyl-amino]propyl-dimethyl-azanium Openeye Name: 3-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-(2-fluorobenzoyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-[(2-fluorophenyl)-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-(2-fluorobenzoyl)amino]propyl-dimethylazanium Traditional Name: 3-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-(2-fluorobenzoyl)amino]propyl-dimethyl-ammonium Formula: C21H25FN3OS+ MolecularWeight: 386.506103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=N2)N(CCC[NH+](C)C)C(=O)C3=CC=CC=C3F

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=N2)N(CCC[NH+](C)C)C(=O)C3=CC=CC=C3F

InChI

InChI=1S/C21H24FN3OS/c1-14-12-18-19(13-15(14)2)27-21(23-18)25(11-7-10-24(3)4)20(26)16-8-5-6-9-17(16)22/h5-6,8-9,12-13H,7,10-11H2,1-4H3/p+1