N-(2-propyl-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl)-4-(trifluoromethyl)benzamide

Systemtic Name: N-(2-propyl-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl)-4-(trifluoromethyl)benzamide Openeye Name: N-(2-propyl-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl)-4-(trifluoromethyl)benzamide CAS Name: N-(2-propyl-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl)-4-(trifluoromethyl)benzamide IUPAC Name: N-(2-propyl-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl)-4-(trifluoromethyl)benzamide Traditional Name: N-(2-propyl-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl)-4-(trifluoromethyl)benzamide Formula: C20H22F3N2O+ MolecularWeight: 363.39669

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC2=C(C1)C=C(C=C2)NC(=O)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CCC[NH+]1CCC2=C(C1)C=C(C=C2)NC(=O)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C20H21F3N2O/c1-2-10-25-11-9-14-5-8-18(12-16(14)13-25)24-19(26)15-3-6-17(7-4-15)20(21,22)23/h3-8,12H,2,9-11,13H2,1H3,(H,24,26)/p+1