4-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]benzamide

Systemtic Name: 4-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]benzamide Openeye Name: 4-(4-chloro-3,5-dimethyl-pyrazol-1-yl)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]benzamide CAS Name: 4-(4-chloro-3,5-dimethyl-1-pyrazolyl)-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]benzamide IUPAC Name: 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]benzamide Traditional Name: 4-(4-chloro-3,5-dimethyl-pyrazol-1-yl)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]benzamide Formula: C22H25ClN5O2+ MolecularWeight: 426.9192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClN5O2/c1-15-21(23)16(2)28(26-15)19-6-4-18(5-7-19)22(29)25-14-17-3-8-20(24-13-17)27-9-11-30-12-10-27/h3-8,13H,9-12,14H2,1-2H3,(H,25,29)/p+1