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

Systemtic Name: 3-morpholin-4-ium-4-ylpropyl-(pyridin-4-ylmethyl)-[[4-(trifluoromethyl)phenyl]methyl]azanium Openeye Name: 3-morpholin-4-ium-4-ylpropyl-(4-pyridylmethyl)-[[4-(trifluoromethyl)phenyl]methyl]ammonium CAS Name: 3-(4-morpholin-4-iumyl)propyl-(pyridin-4-ylmethyl)-[[4-(trifluoromethyl)phenyl]methyl]ammonium IUPAC Name: 3-morpholin-4-ium-4-ylpropyl-(pyridin-4-ylmethyl)-[[4-(trifluoromethyl)phenyl]methyl]azanium Traditional Name: 3-morpholin-4-ium-4-ylpropyl-(4-pyridylmethyl)-[4-(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=C(C=C2)C(F)(F)F)CC3=CC=NC=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H26F3N3O/c22-21(23,24)20-4-2-18(3-5-20)16-27(17-19-6-8-25-9-7-19)11-1-10-26-12-14-28-15-13-26/h2-9H,1,10-17H2/p+2