N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide

Systemtic Name: N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide Openeye Name: N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide CAS Name: N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide IUPAC Name: N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide Traditional Name: N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide Formula: C25H25N6O2+ MolecularWeight: 441.505

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)C3=NN(C(=N3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)C3=NN(C(=N3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H24N6O2/c32-25(27-18-19-11-12-22(26-17-19)30-13-15-33-16-14-30)23-28-24(20-7-3-1-4-8-20)31(29-23)21-9-5-2-6-10-21/h1-12,17H,13-16,18H2,(H,27,32)/p+1