N-[(5-fluoranyl-2-pyrazol-1-yl-phenyl)methyl]-1-(2-morpholin-4-ylpyridin-1-ium-3-yl)methanamine

Systemtic Name: N-[(5-fluoranyl-2-pyrazol-1-yl-phenyl)methyl]-1-(2-morpholin-4-ylpyridin-1-ium-3-yl)methanamine Openeye Name: N-[(5-fluoro-2-pyrazol-1-yl-phenyl)methyl]-1-(2-morpholinopyridin-1-ium-3-yl)methanamine CAS Name: N-[[5-fluoro-2-(1-pyrazolyl)phenyl]methyl]-1-[2-(4-morpholinyl)-3-pyridin-1-iumyl]methanamine IUPAC Name: N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-(2-morpholin-4-ylpyridin-1-ium-3-yl)methanamine Traditional Name: (5-fluoro-2-pyrazol-1-yl-benzyl)-[(2-morpholinopyridin-1-ium-3-yl)methyl]amine Formula: C20H23FN5O+ MolecularWeight: 368.427923

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=CC=[NH+]2)CNCC3=C(C=CC(=C3)F)N4C=CC=N4

Isomeric SMILES

C1COCCN1C2=C(C=CC=[NH+]2)CNCC3=C(C=CC(=C3)F)N4C=CC=N4

InChI

InChI=1S/C20H22FN5O/c21-18-4-5-19(26-8-2-7-24-26)17(13-18)15-22-14-16-3-1-6-23-20(16)25-9-11-27-12-10-25/h1-8,13,22H,9-12,14-15H2/p+1