N-[2-methoxy-1-[2-methyl-4-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-5-yl]-1,2-diaziridin-1-ium-1-yl]benzamide

Systemtic Name: N-[2-methoxy-1-[2-methyl-4-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-5-yl]-1,2-diaziridin-1-ium-1-yl]benzamide Openeye Name: N-[2-methoxy-1-[2-methyl-4-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-5-yl]diaziridin-1-ium-1-yl]benzamide CAS Name: N-[2-methoxy-1-[2-methyl-4-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-5-yl]-1-diaziridin-1-iumyl]benzamide IUPAC Name: N-[2-methoxy-1-[2-methyl-4-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-5-yl]diaziridin-1-ium-1-yl]benzamide Traditional Name: N-[2-methoxy-1-[2-methyl-4-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-5-yl]diaziridin-1-ium-1-yl]benzamide Formula: C20H22F3N4O2+ MolecularWeight: 407.40949

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(C2=C(C1)C=CC=C2[N+]3(CN3OC)NC(=O)C4=CC=CC=C4)C(F)(F)F

Isomeric SMILES

CN1CC(C2=C(C1)C=CC=C2[N+]3(CN3OC)NC(=O)C4=CC=CC=C4)C(F)(F)F

InChI

InChI=1S/C20H21F3N4O2/c1-25-11-15-9-6-10-17(18(15)16(12-25)20(21,22)23)27(13-26(27)29-2)24-19(28)14-7-4-3-5-8-14/h3-10,16H,11-13H2,1-2H3/p+1