N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-2-(1-phenylpyrazol-4-yl)ethanamide

Systemtic Name: N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-2-(1-phenylpyrazol-4-yl)ethanamide Openeye Name: N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide CAS Name: N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-2-(1-phenyl-4-pyrazolyl)acetamide IUPAC Name: N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide Traditional Name: N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide Formula: C21H24N5O2+ MolecularWeight: 378.44756

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)CC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)CC3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H23N5O2/c27-21(12-18-15-24-26(16-18)19-4-2-1-3-5-19)23-14-17-6-7-20(22-13-17)25-8-10-28-11-9-25/h1-7,13,15-16H,8-12,14H2,(H,23,27)/p+1