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

Systemtic Name: 3-[(4-fluorophenyl)carbonyl-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(4-fluorobenzoyl)-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[(4-fluorophenyl)-oxomethyl]-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethylammonium IUPAC Name: 3-[(4-fluorobenzoyl)-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium Traditional Name: 3-[(4-fluorobenzoyl)-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium Formula: C21H25FN3O2S+ MolecularWeight: 402.505503

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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)C3=CC=C(C=C3)F

Isomeric SMILES

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

InChI

InChI=1S/C21H24FN3O2S/c1-14-6-11-17(27-4)18-19(14)28-21(23-18)25(13-5-12-24(2)3)20(26)15-7-9-16(22)10-8-15/h6-11H,5,12-13H2,1-4H3/p+1