ethyl N-(4-fluorophenyl)carbonyl-N'-(2-pyrrolidin-1-ium-1-ylethyl)carbamimidate

Systemtic Name: ethyl N-(4-fluorophenyl)carbonyl-N'-(2-pyrrolidin-1-ium-1-ylethyl)carbamimidate Openeye Name: N-[C-ethoxy-N-(2-pyrrolidin-1-ium-1-ylethyl)carbonimidoyl]-4-fluoro-benzamide CAS Name: N-[(4-fluorophenyl)-oxomethyl]-N'-[2-(1-pyrrolidin-1-iumyl)ethyl]carbamimidic acid ethyl ester IUPAC Name: ethyl N-(4-fluorobenzoyl)-N'-(2-pyrrolidin-1-ium-1-ylethyl)carbamimidate Traditional Name: N-[C-ethoxy-N-(2-pyrrolidin-1-ium-1-ylethyl)carbonimidoyl]-4-fluoro-benzamide Formula: C16H23FN3O2+ MolecularWeight: 308.371123

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22FN3O2/c1-2-22-16(18-9-12-20-10-3-4-11-20)19-15(21)13-5-7-14(17)8-6-13/h5-8H,2-4,9-12H2,1H3,(H,18,19,21)/p+1