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

Systemtic Name: 5-(3,4-dimethylphenyl)-2-(3-methylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)pyrazole-3-carboxamide Openeye Name: 5-(3,4-dimethylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-2-(m-tolyl)pyrazole-3-carboxamide CAS Name: 5-(3,4-dimethylphenyl)-2-(3-methylphenyl)-N-[2-(4-morpholin-4-iumyl)ethyl]-3-pyrazolecarboxamide IUPAC Name: 5-(3,4-dimethylphenyl)-2-(3-methylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)pyrazole-3-carboxamide Traditional Name: 5-(3,4-dimethylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-2-(m-tolyl)pyrazole-3-carboxamide Formula: C25H31N4O2+ MolecularWeight: 419.53924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N4O2/c1-18-5-4-6-22(15-18)29-24(25(30)26-9-10-28-11-13-31-14-12-28)17-23(27-29)21-8-7-19(2)20(3)16-21/h4-8,15-17H,9-14H2,1-3H3,(H,26,30)/p+1