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

Systemtic Name: 3-(3,4-dimethylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-3-(3,4-dimethylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)pyrazole-4-carboxamide CAS Name: 3-(3,4-dimethylphenyl)-N-[2-(4-morpholin-4-iumyl)ethyl]-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-3-(3,4-dimethylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)pyrazole-4-carboxamide Traditional Name: 1-benzyl-3-(3,4-dimethylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)pyrazole-4-carboxamide Formula: C25H31N4O2+ MolecularWeight: 419.53924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C=C2C(=O)NCC[NH+]3CCOCC3)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C=C2C(=O)NCC[NH+]3CCOCC3)CC4=CC=CC=C4)C

InChI

InChI=1S/C25H30N4O2/c1-19-8-9-22(16-20(19)2)24-23(18-29(27-24)17-21-6-4-3-5-7-21)25(30)26-10-11-28-12-14-31-15-13-28/h3-9,16,18H,10-15,17H2,1-2H3,(H,26,30)/p+1