3-[5-(4-fluorophenyl)-2-(1H-pyrazol-5-yl)-4-pyridin-4-yl-morpholin-4-ium-4-yl]propan-1-amine

Systemtic Name: 3-[5-(4-fluorophenyl)-2-(1H-pyrazol-5-yl)-4-pyridin-4-yl-morpholin-4-ium-4-yl]propan-1-amine Openeye Name: 3-[5-(4-fluorophenyl)-2-(1H-pyrazol-5-yl)-4-(4-pyridyl)morpholin-4-ium-4-yl]propan-1-amine CAS Name: 3-[5-(4-fluorophenyl)-2-(1H-pyrazol-5-yl)-4-pyridin-4-yl-4-morpholin-4-iumyl]-1-propanamine IUPAC Name: 3-[5-(4-fluorophenyl)-2-(1H-pyrazol-5-yl)-4-pyridin-4-ylmorpholin-4-ium-4-yl]propan-1-amine Traditional Name: 3-[5-(4-fluorophenyl)-2-(1H-pyrazol-5-yl)-4-(4-pyridyl)morpholin-4-ium-4-yl]propylamine Formula: C21H25FN5O+ MolecularWeight: 382.454503

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OCC([N+]1(CCCN)C2=CC=NC=C2)C3=CC=C(C=C3)F)C4=CC=NN4

Isomeric SMILES

C1C(OCC([N+]1(CCCN)C2=CC=NC=C2)C3=CC=C(C=C3)F)C4=CC=NN4

InChI

InChI=1S/C21H25FN5O/c22-17-4-2-16(3-5-17)20-15-28-21(19-8-12-25-26-19)14-27(20,13-1-9-23)18-6-10-24-11-7-18/h2-8,10-12,20-21H,1,9,13-15,23H2,(H,25,26)/q+1