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

Systemtic Name: 2-[(3,4-dimethylphenyl)carbonyl-(4-fluoranyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(3,4-dimethylbenzoyl)-(4-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(3,4-dimethylphenyl)-oxomethyl]-(4-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-dimethylammonium IUPAC Name: 2-[(3,4-dimethylbenzoyl)-(4-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[(3,4-dimethylbenzoyl)-(4-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=C(C=C(C=C1)C(=O)N(CC[NH+](C)C)C2=NC3=C(C=CC=C3S2)F)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N(CC[NH+](C)C)C2=NC3=C(C=CC=C3S2)F)C

InChI

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