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

Systemtic Name: 3-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)carbonyl-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]propyl-dimethyl-azanium Openeye Name: 3-[(5-chloro-3-methyl-1-phenyl-pyrazole-4-carbonyl)-[4-(4-methoxyphenyl)thiazol-2-yl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-oxomethyl]-[4-(4-methoxyphenyl)-2-thiazolyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]propyl-dimethylazanium Traditional Name: 3-[(5-chloro-3-methyl-1-phenyl-pyrazole-4-carbonyl)-[4-(4-methoxyphenyl)thiazol-2-yl]amino]propyl-dimethyl-ammonium Formula: C26H29ClN5O2S+ MolecularWeight: 511.05876

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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=C(C=C3)OC)Cl)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C26H28ClN5O2S/c1-18-23(24(27)32(29-18)20-9-6-5-7-10-20)25(33)31(16-8-15-30(2)3)26-28-22(17-35-26)19-11-13-21(34-4)14-12-19/h5-7,9-14,17H,8,15-16H2,1-4H3/p+1