2-morpholin-4-ium-4-ylethyl 3-fluoranylbenzoate

Systemtic Name: 2-morpholin-4-ium-4-ylethyl 3-fluoranylbenzoate Openeye Name: 2-morpholin-4-ium-4-ylethyl 3-fluorobenzoate CAS Name: 3-fluorobenzoic acid 2-(4-morpholin-4-iumyl)ethyl ester IUPAC Name: 2-morpholin-4-ium-4-ylethyl 3-fluorobenzoate Traditional Name: 3-fluorobenzoic acid 2-morpholin-4-ium-4-ylethyl ester Formula: C13H17FNO3+ MolecularWeight: 254.277383

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCOC(=O)C2=CC(=CC=C2)F

Isomeric SMILES

C1COCC[NH+]1CCOC(=O)C2=CC(=CC=C2)F

InChI

InChI=1S/C13H16FNO3/c14-12-3-1-2-11(10-12)13(16)18-9-6-15-4-7-17-8-5-15/h1-3,10H,4-9H2/p+1