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

Systemtic Name: 3-(2-methoxyphenyl)-N-[4-(morpholin-4-ium-4-ylmethyl)-1,3-thiazol-2-yl]-1-phenyl-pyrazole-4-carboxamide Openeye Name: 3-(2-methoxyphenyl)-N-[4-(morpholin-4-ium-4-ylmethyl)thiazol-2-yl]-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(2-methoxyphenyl)-N-[4-(4-morpholin-4-iumylmethyl)-2-thiazolyl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(2-methoxyphenyl)-N-[4-(morpholin-4-ium-4-ylmethyl)-1,3-thiazol-2-yl]-1-phenylpyrazole-4-carboxamide Traditional Name: 3-(2-methoxyphenyl)-N-[4-(morpholin-4-ium-4-ylmethyl)thiazol-2-yl]-1-phenyl-pyrazole-4-carboxamide Formula: C25H26N5O3S+ MolecularWeight: 476.57064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN(C=C2C(=O)NC3=NC(=CS3)C[NH+]4CCOCC4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC=C1C2=NN(C=C2C(=O)NC3=NC(=CS3)C[NH+]4CCOCC4)C5=CC=CC=C5

InChI

InChI=1S/C25H25N5O3S/c1-32-22-10-6-5-9-20(22)23-21(16-30(28-23)19-7-3-2-4-8-19)24(31)27-25-26-18(17-34-25)15-29-11-13-33-14-12-29/h2-10,16-17H,11-15H2,1H3,(H,26,27,31)/p+1