2-(2,5-dimethylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-5-thiophen-2-yl-pyrazole-3-carboxamide

Systemtic Name: 2-(2,5-dimethylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-5-thiophen-2-yl-pyrazole-3-carboxamide Openeye Name: 2-(2,5-dimethylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-5-(2-thienyl)pyrazole-3-carboxamide CAS Name: 2-(2,5-dimethylphenyl)-N-[2-(4-morpholin-4-iumyl)ethyl]-5-thiophen-2-yl-3-pyrazolecarboxamide IUPAC Name: 2-(2,5-dimethylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-5-thiophen-2-ylpyrazole-3-carboxamide Traditional Name: 2-(2,5-dimethylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-5-(2-thienyl)pyrazole-3-carboxamide Formula: C22H27N4O2S+ MolecularWeight: 411.54038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(=CC(=N2)C3=CC=CS3)C(=O)NCC[NH+]4CCOCC4

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=CC(=N2)C3=CC=CS3)C(=O)NCC[NH+]4CCOCC4

InChI

InChI=1S/C22H26N4O2S/c1-16-5-6-17(2)19(14-16)26-20(15-18(24-26)21-4-3-13-29-21)22(27)23-7-8-25-9-11-28-12-10-25/h3-6,13-15H,7-12H2,1-2H3,(H,23,27)/p+1