2-[(6-fluoranyl-1,3-benzothiazol-2-yl)-(2-methylphenyl)carbonyl-amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(6-fluoranyl-1,3-benzothiazol-2-yl)-(2-methylphenyl)carbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[(6-fluoro-1,3-benzothiazol-2-yl)-(2-methylbenzoyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(6-fluoro-1,3-benzothiazol-2-yl)-[(2-methylphenyl)-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(6-fluoro-1,3-benzothiazol-2-yl)-(2-methylbenzoyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(6-fluoro-1,3-benzothiazol-2-yl)-o-toluoyl-amino]ethyl-dimethyl-ammonium Formula: C19H21FN3OS+ MolecularWeight: 358.452943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N(CC[NH+](C)C)C2=NC3=C(S2)C=C(C=C3)F

Isomeric SMILES

CC1=CC=CC=C1C(=O)N(CC[NH+](C)C)C2=NC3=C(S2)C=C(C=C3)F

InChI

InChI=1S/C19H20FN3OS/c1-13-6-4-5-7-15(13)18(24)23(11-10-22(2)3)19-21-16-9-8-14(20)12-17(16)25-19/h4-9,12H,10-11H2,1-3H3/p+1