3-[2-(4-fluorophenyl)ethanoyl-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[2-(4-fluorophenyl)ethanoyl-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[[2-(4-fluorophenyl)acetyl]-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[2-(4-fluorophenyl)-1-oxoethyl]-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethylammonium IUPAC Name: 3-[[2-(4-fluorophenyl)acetyl]-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium Traditional Name: 3-[[2-(4-fluorophenyl)acetyl]-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium Formula: C22H27FN3O2S+ MolecularWeight: 416.532083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)OC)N=C(S2)N(CCC[NH+](C)C)C(=O)CC3=CC=C(C=C3)F

Isomeric SMILES

CC1=C2C(=C(C=C1)OC)N=C(S2)N(CCC[NH+](C)C)C(=O)CC3=CC=C(C=C3)F

InChI

InChI=1S/C22H26FN3O2S/c1-15-6-11-18(28-4)20-21(15)29-22(24-20)26(13-5-12-25(2)3)19(27)14-16-7-9-17(23)10-8-16/h6-11H,5,12-14H2,1-4H3/p+1