5-methyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: 5-methyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-1-phenyl-pyrazole-4-carboxamide Openeye Name: 5-methyl-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-1-phenyl-pyrazole-4-carboxamide CAS Name: 5-methyl-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 5-methyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-1-phenylpyrazole-4-carboxamide Traditional Name: 5-methyl-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-1-phenyl-pyrazole-4-carboxamide Formula: C21H24N5O2+ MolecularWeight: 378.44756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=CC=C2)C(=O)NCC3=C[NH+]=C(C=C3)N4CCOCC4

Isomeric SMILES

CC1=C(C=NN1C2=CC=CC=C2)C(=O)NCC3=C[NH+]=C(C=C3)N4CCOCC4

InChI

InChI=1S/C21H23N5O2/c1-16-19(15-24-26(16)18-5-3-2-4-6-18)21(27)23-14-17-7-8-20(22-13-17)25-9-11-28-12-10-25/h2-8,13,15H,9-12,14H2,1H3,(H,23,27)/p+1