3-(4-bromophenyl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-1H-pyrazole-5-carboxamide

Systemtic Name: 3-(4-bromophenyl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-1H-pyrazole-5-carboxamide Openeye Name: 3-(4-bromophenyl)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-1H-pyrazole-5-carboxamide CAS Name: 3-(4-bromophenyl)-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-1H-pyrazole-5-carboxamide IUPAC Name: 3-(4-bromophenyl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-1H-pyrazole-5-carboxamide Traditional Name: 3-(4-bromophenyl)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-1H-pyrazole-5-carboxamide Formula: C20H21BrN5O2+ MolecularWeight: 443.31704

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)C3=CC(=NN3)C4=CC=C(C=C4)Br

Isomeric SMILES

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)C3=CC(=NN3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C20H20BrN5O2/c21-16-4-2-15(3-5-16)17-11-18(25-24-17)20(27)23-13-14-1-6-19(22-12-14)26-7-9-28-10-8-26/h1-6,11-12H,7-10,13H2,(H,23,27)(H,24,25)/p+1