5-cyclopropyl-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)-2-phenyl-pyrazole-3-carboxamide

Systemtic Name: 5-cyclopropyl-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)-2-phenyl-pyrazole-3-carboxamide Openeye Name: 5-cyclopropyl-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)-2-phenyl-pyrazole-3-carboxamide CAS Name: 5-cyclopropyl-N-[2-methyl-2-(4-morpholin-4-iumyl)propyl]-2-phenyl-3-pyrazolecarboxamide IUPAC Name: 5-cyclopropyl-N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)-2-phenylpyrazole-3-carboxamide Traditional Name: 5-cyclopropyl-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)-2-phenyl-pyrazole-3-carboxamide Formula: C21H29N4O2+ MolecularWeight: 369.48056

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)C1=CC(=NN1C2=CC=CC=C2)C3CC3)[NH+]4CCOCC4

Isomeric SMILES

CC(C)(CNC(=O)C1=CC(=NN1C2=CC=CC=C2)C3CC3)[NH+]4CCOCC4

InChI

InChI=1S/C21H28N4O2/c1-21(2,24-10-12-27-13-11-24)15-22-20(26)19-14-18(16-8-9-16)23-25(19)17-6-4-3-5-7-17/h3-7,14,16H,8-13,15H2,1-2H3,(H,22,26)/p+1