3-(2,4-dimethylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: 3-(2,4-dimethylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-1-phenyl-pyrazole-4-carboxamide Openeye Name: 3-(2,4-dimethylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(2,4-dimethylphenyl)-N-[2-(4-morpholin-4-iumyl)ethyl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(2,4-dimethylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-1-phenylpyrazole-4-carboxamide Traditional Name: 3-(2,4-dimethylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-1-phenyl-pyrazole-4-carboxamide Formula: C24H29N4O2+ MolecularWeight: 405.51266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=NN(C=C2C(=O)NCC[NH+]3CCOCC3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=NN(C=C2C(=O)NCC[NH+]3CCOCC3)C4=CC=CC=C4)C

InChI

InChI=1S/C24H28N4O2/c1-18-8-9-21(19(2)16-18)23-22(17-28(26-23)20-6-4-3-5-7-20)24(29)25-10-11-27-12-14-30-15-13-27/h3-9,16-17H,10-15H2,1-2H3,(H,25,29)/p+1