N-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-N-methyl-6-morpholin-4-yl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-N-methyl-6-morpholin-4-yl-pyridin-1-ium-3-carboxamide Openeye Name: N-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-N-methyl-6-morpholino-pyridin-1-ium-3-carboxamide CAS Name: N-[[3-(4-chlorophenyl)-1-phenyl-4-pyrazolyl]methyl]-N-methyl-6-(4-morpholinyl)-3-pyridin-1-iumcarboxamide IUPAC Name: N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-6-morpholin-4-ylpyridin-1-ium-3-carboxamide Traditional Name: N-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-N-methyl-6-morpholino-pyridin-1-ium-3-carboxamide Formula: C27H27ClN5O2+ MolecularWeight: 488.98858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1C2=CC=C(C=C2)Cl)C3=CC=CC=C3)C(=O)C4=C[NH+]=C(C=C4)N5CCOCC5

Isomeric SMILES

CN(CC1=CN(N=C1C2=CC=C(C=C2)Cl)C3=CC=CC=C3)C(=O)C4=C[NH+]=C(C=C4)N5CCOCC5

InChI

InChI=1S/C27H26ClN5O2/c1-31(27(34)21-9-12-25(29-17-21)32-13-15-35-16-14-32)18-22-19-33(24-5-3-2-4-6-24)30-26(22)20-7-10-23(28)11-8-20/h2-12,17,19H,13-16,18H2,1H3/p+1