3-morpholin-4-ium-4-ylpropyl-(pyridin-4-ylmethyl)-[[3-(trifluoromethyl)phenyl]methyl]azanium

Systemtic Name: 3-morpholin-4-ium-4-ylpropyl-(pyridin-4-ylmethyl)-[[3-(trifluoromethyl)phenyl]methyl]azanium Openeye Name: 3-morpholin-4-ium-4-ylpropyl-(4-pyridylmethyl)-[[3-(trifluoromethyl)phenyl]methyl]ammonium CAS Name: 3-(4-morpholin-4-iumyl)propyl-(pyridin-4-ylmethyl)-[[3-(trifluoromethyl)phenyl]methyl]ammonium IUPAC Name: 3-morpholin-4-ium-4-ylpropyl-(pyridin-4-ylmethyl)-[[3-(trifluoromethyl)phenyl]methyl]azanium Traditional Name: 3-morpholin-4-ium-4-ylpropyl-(4-pyridylmethyl)-[3-(trifluoromethyl)benzyl]ammonium Formula: C21H28F3N3O+2 MolecularWeight: 395.46173

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCC[NH+](CC2=CC=NC=C2)CC3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

C1COCC[NH+]1CCC[NH+](CC2=CC=NC=C2)CC3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C21H26F3N3O/c22-21(23,24)20-4-1-3-19(15-20)17-27(16-18-5-7-25-8-6-18)10-2-9-26-11-13-28-14-12-26/h1,3-8,15H,2,9-14,16-17H2/p+2