1-isoquinolin-5-yl-1-[[2,4,6-tris(fluoranyl)phenyl]methyl]piperidin-1-ium-3-amine

Systemtic Name: 1-isoquinolin-5-yl-1-[[2,4,6-tris(fluoranyl)phenyl]methyl]piperidin-1-ium-3-amine Openeye Name: 1-(5-isoquinolyl)-1-[(2,4,6-trifluorophenyl)methyl]piperidin-1-ium-3-amine CAS Name: 1-(5-isoquinolinyl)-1-[(2,4,6-trifluorophenyl)methyl]-3-piperidin-1-iumamine IUPAC Name: 1-isoquinolin-5-yl-1-[(2,4,6-trifluorophenyl)methyl]piperidin-1-ium-3-amine Traditional Name: [1-(5-isoquinolyl)-1-(2,4,6-trifluorobenzyl)piperidin-1-ium-3-yl]amine Formula: C21H21F3N3+ MolecularWeight: 372.40675

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[N+](C1)(CC2=C(C=C(C=C2F)F)F)C3=CC=CC4=C3C=CN=C4)N

Isomeric SMILES

C1CC(C[N+](C1)(CC2=C(C=C(C=C2F)F)F)C3=CC=CC4=C3C=CN=C4)N

InChI

InChI=1S/C21H21F3N3/c22-15-9-19(23)18(20(24)10-15)13-27(8-2-4-16(25)12-27)21-5-1-3-14-11-26-7-6-17(14)21/h1,3,5-7,9-11,16H,2,4,8,12-13,25H2/q+1