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

Systemtic Name: N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-1,3-diphenyl-pyrazole-4-carboxamide Openeye Name: N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-1,3-diphenyl-pyrazole-4-carboxamide CAS Name: N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-1,3-diphenyl-4-pyrazolecarboxamide IUPAC Name: N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-1,3-diphenylpyrazole-4-carboxamide Traditional Name: N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-1,3-diphenyl-pyrazole-4-carboxamide Formula: C26H26N5O2+ MolecularWeight: 440.51694

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H25N5O2/c32-26(28-18-20-11-12-24(27-17-20)30-13-15-33-16-14-30)23-19-31(22-9-5-2-6-10-22)29-25(23)21-7-3-1-4-8-21/h1-12,17,19H,13-16,18H2,(H,28,32)/p+1