oxidanium; (2-fluorophenyl)methanediol; lanthanum; 4-piperidin-4-yl-2H-pyridin-1-ide; tetrahydrate

Systemtic Name: oxidanium; (2-fluorophenyl)methanediol; lanthanum; 4-piperidin-4-yl-2H-pyridin-1-ide; tetrahydrate Openeye Name: oxonium; (2-fluorophenyl)methanediol; lanthanum; 4-(4-piperidyl)-2H-pyridin-1-ide; tetrahydrate CAS Name: oxonium; (2-fluorophenyl)methanediol; lanthanum; 4-(4-piperidinyl)-2H-pyridin-1-ide; tetrahydrate IUPAC Name: oxidanium; (2-fluorophenyl)methanediol; lanthanum; 4-piperidin-4-yl-2H-pyridin-1-ide; tetrahydrate Traditional Name: oxonium; (2-fluorophenyl)methanediol; lanthanum; 4-(4-piperidyl)-2H-pyridin-1-ide; tetrahydrate Formula: C31H47F3La3N2O11 MolecularWeight: 1097.42339

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C2=CC[N-]C=C2.C1=CC=C(C(=C1)C(O)O)F.C1=CC=C(C(=C1)C(O)O)F.C1=CC=C(C(=C1)C(O)O)F.[OH3+].O.O.O.O.[La].[La].[La]

Isomeric SMILES

C1CNCCC1C2=CC[N-]C=C2.C1=CC=C(C(=C1)C(O)O)F.C1=CC=C(C(=C1)C(O)O)F.C1=CC=C(C(=C1)C(O)O)F.[OH3+].O.O.O.O.[La].[La].[La]

InChI

InChI=1S/C10H15N2.3C7H7FO2.3La.5H2O/c1-5-11-6-2-9(1)10-3-7-12-8-4-10;3*8-6-4-2-1-3-5(6)7(9)10;;;;;;;;/h1-2,5,10,12H,3-4,6-8H2;3*1-4,7,9-10H;;;;5*1H2/q-1;;;;;;;;;;;/p+1