propan-2-yl N-(3-fluorophenyl)carbonyl-N'-(2-morpholin-4-ium-4-ylethyl)carbamimidate

Systemtic Name: propan-2-yl N-(3-fluorophenyl)carbonyl-N'-(2-morpholin-4-ium-4-ylethyl)carbamimidate Openeye Name: 3-fluoro-N-[C-isopropoxy-N-(2-morpholin-4-ium-4-ylethyl)carbonimidoyl]benzamide CAS Name: N-[(3-fluorophenyl)-oxomethyl]-N'-[2-(4-morpholin-4-iumyl)ethyl]carbamimidic acid propan-2-yl ester IUPAC Name: propan-2-yl N-(3-fluorobenzoyl)-N'-(2-morpholin-4-ium-4-ylethyl)carbamimidate Traditional Name: 3-fluoro-N-[C-isopropoxy-N-(2-morpholin-4-ium-4-ylethyl)carbonimidoyl]benzamide Formula: C17H25FN3O3+ MolecularWeight: 338.397103

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=NCC[NH+]1CCOCC1)NC(=O)C2=CC(=CC=C2)F

Isomeric SMILES

CC(C)OC(=NCC[NH+]1CCOCC1)NC(=O)C2=CC(=CC=C2)F

InChI

InChI=1S/C17H24FN3O3/c1-13(2)24-17(19-6-7-21-8-10-23-11-9-21)20-16(22)14-4-3-5-15(18)12-14/h3-5,12-13H,6-11H2,1-2H3,(H,19,20,22)/p+1