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

Systemtic Name: N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)-1-phenyl-pyrazole-4-carboxamide Openeye Name: N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)-1-phenyl-pyrazole-4-carboxamide CAS Name: N-[2-methyl-2-(4-morpholin-4-iumyl)propyl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)-1-phenylpyrazole-4-carboxamide Traditional Name: N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)-1-phenyl-pyrazole-4-carboxamide Formula: C18H25N4O2+ MolecularWeight: 329.4167

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)C1=CN(N=C1)C2=CC=CC=C2)[NH+]3CCOCC3

Isomeric SMILES

CC(C)(CNC(=O)C1=CN(N=C1)C2=CC=CC=C2)[NH+]3CCOCC3

InChI

InChI=1S/C18H24N4O2/c1-18(2,21-8-10-24-11-9-21)14-19-17(23)15-12-20-22(13-15)16-6-4-3-5-7-16/h3-7,12-13H,8-11,14H2,1-2H3,(H,19,23)/p+1