3-(3-methylphenyl)-N-[4-(morpholin-4-ium-4-ylmethyl)-1,3-thiazol-2-yl]-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: 3-(3-methylphenyl)-N-[4-(morpholin-4-ium-4-ylmethyl)-1,3-thiazol-2-yl]-1-phenyl-pyrazole-4-carboxamide Openeye Name: N-[4-(morpholin-4-ium-4-ylmethyl)thiazol-2-yl]-3-(m-tolyl)-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(3-methylphenyl)-N-[4-(4-morpholin-4-iumylmethyl)-2-thiazolyl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(3-methylphenyl)-N-[4-(morpholin-4-ium-4-ylmethyl)-1,3-thiazol-2-yl]-1-phenylpyrazole-4-carboxamide Traditional Name: N-[4-(morpholin-4-ium-4-ylmethyl)thiazol-2-yl]-3-(m-tolyl)-1-phenyl-pyrazole-4-carboxamide Formula: C25H26N5O2S+ MolecularWeight: 460.57124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN(C=C2C(=O)NC3=NC(=CS3)C[NH+]4CCOCC4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN(C=C2C(=O)NC3=NC(=CS3)C[NH+]4CCOCC4)C5=CC=CC=C5

InChI

InChI=1S/C25H25N5O2S/c1-18-6-5-7-19(14-18)23-22(16-30(28-23)21-8-3-2-4-9-21)24(31)27-25-26-20(17-33-25)15-29-10-12-32-13-11-29/h2-9,14,16-17H,10-13,15H2,1H3,(H,26,27,31)/p+1