2-[(2,4-dimethylphenyl)carbonyl-(6-fluoranyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(2,4-dimethylphenyl)carbonyl-(6-fluoranyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(2,4-dimethylbenzoyl)-(6-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(2,4-dimethylphenyl)-oxomethyl]-(6-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-dimethylammonium IUPAC Name: 2-[(2,4-dimethylbenzoyl)-(6-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[(2,4-dimethylbenzoyl)-(6-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium Formula: C20H23FN3OS+ MolecularWeight: 372.479523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)N(CC[NH+](C)C)C2=NC3=C(S2)C=C(C=C3)F)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)N(CC[NH+](C)C)C2=NC3=C(S2)C=C(C=C3)F)C

InChI

InChI=1S/C20H22FN3OS/c1-13-5-7-16(14(2)11-13)19(25)24(10-9-23(3)4)20-22-17-8-6-15(21)12-18(17)26-20/h5-8,11-12H,9-10H2,1-4H3/p+1