3-[(4-fluorophenyl)carbonyl-(pyridin-3-ylmethyl)amino]propylazanium

Systemtic Name: 3-[(4-fluorophenyl)carbonyl-(pyridin-3-ylmethyl)amino]propylazanium Openeye Name: 3-[(4-fluorobenzoyl)-(3-pyridylmethyl)amino]propylammonium CAS Name: 3-[[(4-fluorophenyl)-oxomethyl]-(3-pyridinylmethyl)amino]propylammonium IUPAC Name: 3-[(4-fluorobenzoyl)-(pyridin-3-ylmethyl)amino]propylazanium Traditional Name: 3-[(4-fluorobenzoyl)-(3-pyridylmethyl)amino]propylammonium Formula: C16H19FN3O+ MolecularWeight: 288.339963

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CN(CCC[NH3+])C(=O)C2=CC=C(C=C2)F

Isomeric SMILES

C1=CC(=CN=C1)CN(CCC[NH3+])C(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C16H18FN3O/c17-15-6-4-14(5-7-15)16(21)20(10-2-8-18)12-13-3-1-9-19-11-13/h1,3-7,9,11H,2,8,10,12,18H2/p+1