propan-2-yl N'-(2-piperidin-1-ium-1-ylethyl)-N-[3-(trifluoromethyl)phenyl]carbonyl-carbamimidate

Systemtic Name: propan-2-yl N'-(2-piperidin-1-ium-1-ylethyl)-N-[3-(trifluoromethyl)phenyl]carbonyl-carbamimidate Openeye Name: N-[C-isopropoxy-N-(2-piperidin-1-ium-1-ylethyl)carbonimidoyl]-3-(trifluoromethyl)benzamide CAS Name: N-[oxo-[3-(trifluoromethyl)phenyl]methyl]-N'-[2-(1-piperidin-1-iumyl)ethyl]carbamimidic acid propan-2-yl ester IUPAC Name: propan-2-yl N'-(2-piperidin-1-ium-1-ylethyl)-N-[3-(trifluoromethyl)benzoyl]carbamimidate Traditional Name: N-[C-isopropoxy-N-(2-piperidin-1-ium-1-ylethyl)carbonimidoyl]-3-(trifluoromethyl)benzamide Formula: C19H27F3N3O2+ MolecularWeight: 386.43179

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=NCC[NH+]1CCCCC1)NC(=O)C2=CC(=CC=C2)C(F)(F)F

Isomeric SMILES

CC(C)OC(=NCC[NH+]1CCCCC1)NC(=O)C2=CC(=CC=C2)C(F)(F)F

InChI

InChI=1S/C19H26F3N3O2/c1-14(2)27-18(23-9-12-25-10-4-3-5-11-25)24-17(26)15-7-6-8-16(13-15)19(20,21)22/h6-8,13-14H,3-5,9-12H2,1-2H3,(H,23,24,26)/p+1