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

Systemtic Name: propan-2-yl N-(3-fluorophenyl)carbonyl-N'-(3-morpholin-4-ium-4-ylpropyl)carbamimidate Openeye Name: 3-fluoro-N-[C-isopropoxy-N-(3-morpholin-4-ium-4-ylpropyl)carbonimidoyl]benzamide CAS Name: N-[(3-fluorophenyl)-oxomethyl]-N'-[3-(4-morpholin-4-iumyl)propyl]carbamimidic acid propan-2-yl ester IUPAC Name: propan-2-yl N-(3-fluorobenzoyl)-N'-(3-morpholin-4-ium-4-ylpropyl)carbamimidate Traditional Name: 3-fluoro-N-[C-isopropoxy-N-(3-morpholin-4-ium-4-ylpropyl)carbonimidoyl]benzamide Formula: C18H27FN3O3+ MolecularWeight: 352.423683

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26FN3O3/c1-14(2)25-18(20-7-4-8-22-9-11-24-12-10-22)21-17(23)15-5-3-6-16(19)13-15/h3,5-6,13-14H,4,7-12H2,1-2H3,(H,20,21,23)/p+1