1-isoquinolin-5-yl-1-[4,4,4-tris(fluoranyl)butyl]piperidin-1-ium-3-amine

Systemtic Name: 1-isoquinolin-5-yl-1-[4,4,4-tris(fluoranyl)butyl]piperidin-1-ium-3-amine Openeye Name: 1-(5-isoquinolyl)-1-(4,4,4-trifluorobutyl)piperidin-1-ium-3-amine CAS Name: 1-(5-isoquinolinyl)-1-(4,4,4-trifluorobutyl)-3-piperidin-1-iumamine IUPAC Name: 1-isoquinolin-5-yl-1-(4,4,4-trifluorobutyl)piperidin-1-ium-3-amine Traditional Name: [1-(5-isoquinolyl)-1-(4,4,4-trifluorobutyl)piperidin-1-ium-3-yl]amine Formula: C18H23F3N3+ MolecularWeight: 338.39053

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[N+](C1)(CCCC(F)(F)F)C2=CC=CC3=C2C=CN=C3)N

Isomeric SMILES

C1CC(C[N+](C1)(CCCC(F)(F)F)C2=CC=CC3=C2C=CN=C3)N

InChI

InChI=1S/C18H23F3N3/c19-18(20,21)8-3-11-24(10-2-5-15(22)13-24)17-6-1-4-14-12-23-9-7-16(14)17/h1,4,6-7,9,12,15H,2-3,5,8,10-11,13,22H2/q+1