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

Systemtic Name: 3-[(3-chlorophenyl)carbonyl-[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]propyl-dimethyl-azanium Openeye Name: 3-[(3-chlorobenzoyl)-[4-(p-tolyl)thiazol-2-yl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[(3-chlorophenyl)-oxomethyl]-[4-(4-methylphenyl)-2-thiazolyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(3-chlorobenzoyl)-[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]propyl-dimethylazanium Traditional Name: 3-[(3-chlorobenzoyl)-[4-(p-tolyl)thiazol-2-yl]amino]propyl-dimethyl-ammonium Formula: C22H25ClN3OS+ MolecularWeight: 414.9714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=N2)N(CCC[NH+](C)C)C(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=N2)N(CCC[NH+](C)C)C(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C22H24ClN3OS/c1-16-8-10-17(11-9-16)20-15-28-22(24-20)26(13-5-12-25(2)3)21(27)18-6-4-7-19(23)14-18/h4,6-11,14-15H,5,12-13H2,1-3H3/p+1