3-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)carbonyl-(4-phenyl-1,3-thiazol-2-yl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)carbonyl-(4-phenyl-1,3-thiazol-2-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(5-chloro-3-methyl-1-phenyl-pyrazole-4-carbonyl)-(4-phenylthiazol-2-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-oxomethyl]-(4-phenyl-2-thiazolyl)amino]propyl-dimethylammonium IUPAC Name: 3-[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)-(4-phenyl-1,3-thiazol-2-yl)amino]propyl-dimethylazanium Traditional Name: 3-[(5-chloro-3-methyl-1-phenyl-pyrazole-4-carbonyl)-(4-phenylthiazol-2-yl)amino]propyl-dimethyl-ammonium Formula: C25H27ClN5OS+ MolecularWeight: 481.03278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)N(CCC[NH+](C)C)C2=NC(=CS2)C3=CC=CC=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C(=O)N(CCC[NH+](C)C)C2=NC(=CS2)C3=CC=CC=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C25H26ClN5OS/c1-18-22(23(26)31(28-18)20-13-8-5-9-14-20)24(32)30(16-10-15-29(2)3)25-27-21(17-33-25)19-11-6-4-7-12-19/h4-9,11-14,17H,10,15-16H2,1-3H3/p+1