propan-2-yl N-(3-fluorophenyl)carbonyl-N'-(2-piperidin-1-ium-1-ylethyl)carbamimidate

Systemtic Name: propan-2-yl N-(3-fluorophenyl)carbonyl-N'-(2-piperidin-1-ium-1-ylethyl)carbamimidate Openeye Name: 3-fluoro-N-[C-isopropoxy-N-(2-piperidin-1-ium-1-ylethyl)carbonimidoyl]benzamide CAS Name: N-[(3-fluorophenyl)-oxomethyl]-N'-[2-(1-piperidin-1-iumyl)ethyl]carbamimidic acid propan-2-yl ester IUPAC Name: propan-2-yl N-(3-fluorobenzoyl)-N'-(2-piperidin-1-ium-1-ylethyl)carbamimidate Traditional Name: 3-fluoro-N-[C-isopropoxy-N-(2-piperidin-1-ium-1-ylethyl)carbonimidoyl]benzamide Formula: C18H27FN3O2+ MolecularWeight: 336.424283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26FN3O2/c1-14(2)24-18(20-9-12-22-10-4-3-5-11-22)21-17(23)15-7-6-8-16(19)13-15/h6-8,13-14H,3-5,9-12H2,1-2H3,(H,20,21,23)/p+1