3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-(4-methylphenyl)carbonyl-amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-(4-methylphenyl)carbonyl-amino]propyl-dimethyl-azanium Openeye Name: 3-[[4-(4-fluorophenyl)thiazol-2-yl]-(4-methylbenzoyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[4-(4-fluorophenyl)-2-thiazolyl]-[(4-methylphenyl)-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-(4-methylbenzoyl)amino]propyl-dimethylazanium Traditional Name: 3-[[4-(4-fluorophenyl)thiazol-2-yl]-p-toluoyl-amino]propyl-dimethyl-ammonium Formula: C22H25FN3OS+ MolecularWeight: 398.516803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N(CCC[NH+](C)C)C2=NC(=CS2)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N(CCC[NH+](C)C)C2=NC(=CS2)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H24FN3OS/c1-16-5-7-18(8-6-16)21(27)26(14-4-13-25(2)3)22-24-20(15-28-22)17-9-11-19(23)12-10-17/h5-12,15H,4,13-14H2,1-3H3/p+1