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

Systemtic Name: N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-1-phenyl-pyrazole-4-carboxamide Openeye Name: N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-1-phenyl-pyrazole-4-carboxamide CAS Name: N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-1-phenylpyrazole-4-carboxamide Traditional Name: N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-1-phenyl-pyrazole-4-carboxamide Formula: C20H22N5O2+ MolecularWeight: 364.42098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O2/c26-20(17-14-23-25(15-17)18-4-2-1-3-5-18)22-13-16-6-7-19(21-12-16)24-8-10-27-11-9-24/h1-7,12,14-15H,8-11,13H2,(H,22,26)/p+1