ethyl N'-(2-pyrrolidin-1-ium-1-ylethyl)-N-[3-(trifluoromethyl)phenyl]carbonyl-carbamimidate

Systemtic Name: ethyl N'-(2-pyrrolidin-1-ium-1-ylethyl)-N-[3-(trifluoromethyl)phenyl]carbonyl-carbamimidate Openeye Name: N-[C-ethoxy-N-(2-pyrrolidin-1-ium-1-ylethyl)carbonimidoyl]-3-(trifluoromethyl)benzamide CAS Name: N-[oxo-[3-(trifluoromethyl)phenyl]methyl]-N'-[2-(1-pyrrolidin-1-iumyl)ethyl]carbamimidic acid ethyl ester IUPAC Name: ethyl N'-(2-pyrrolidin-1-ium-1-ylethyl)-N-[3-(trifluoromethyl)benzoyl]carbamimidate Traditional Name: N-[C-ethoxy-N-(2-pyrrolidin-1-ium-1-ylethyl)carbonimidoyl]-3-(trifluoromethyl)benzamide Formula: C17H23F3N3O2+ MolecularWeight: 358.37863

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=NCC[NH+]1CCCC1)NC(=O)C2=CC(=CC=C2)C(F)(F)F

Isomeric SMILES

CCOC(=NCC[NH+]1CCCC1)NC(=O)C2=CC(=CC=C2)C(F)(F)F

InChI

InChI=1S/C17H22F3N3O2/c1-2-25-16(21-8-11-23-9-3-4-10-23)22-15(24)13-6-5-7-14(12-13)17(18,19)20/h5-7,12H,2-4,8-11H2,1H3,(H,21,22,24)/p+1