N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)-3-(3-methylphenyl)-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)-3-(3-methylphenyl)-1-phenyl-pyrazole-4-carboxamide Openeye Name: N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)-3-(m-tolyl)-1-phenyl-pyrazole-4-carboxamide CAS Name: N-[2-methyl-2-(4-morpholin-4-iumyl)propyl]-3-(3-methylphenyl)-1-phenyl-4-pyrazolecarboxamide IUPAC Name: N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)-3-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide Traditional Name: N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)-3-(m-tolyl)-1-phenyl-pyrazole-4-carboxamide Formula: C25H31N4O2+ MolecularWeight: 419.53924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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