3-[[4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]phenyl]carbonylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]phenyl]carbonylamino]propyl-dimethyl-azanium Openeye Name: 3-[[4-[4-(4-chlorophenyl)thiazol-2-yl]benzoyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[4-[4-(4-chlorophenyl)-2-thiazolyl]phenyl]-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]benzoyl]amino]propyl-dimethylazanium Traditional Name: 3-[[4-[4-(4-chlorophenyl)thiazol-2-yl]benzoyl]amino]propyl-dimethyl-ammonium Formula: C21H23ClN3OS+ MolecularWeight: 400.94482

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=O)C1=CC=C(C=C1)C2=NC(=CS2)C3=CC=C(C=C3)Cl

Isomeric SMILES

C[NH+](C)CCCNC(=O)C1=CC=C(C=C1)C2=NC(=CS2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H22ClN3OS/c1-25(2)13-3-12-23-20(26)16-4-6-17(7-5-16)21-24-19(14-27-21)15-8-10-18(22)11-9-15/h4-11,14H,3,12-13H2,1-2H3,(H,23,26)/p+1