piperidin-1-ium-4-ylmethyl 4-fluoranylbenzoate

Systemtic Name: piperidin-1-ium-4-ylmethyl 4-fluoranylbenzoate Openeye Name: piperidin-1-ium-4-ylmethyl 4-fluorobenzoate CAS Name: 4-fluorobenzoic acid 4-piperidin-1-iumylmethyl ester IUPAC Name: piperidin-1-ium-4-ylmethyl 4-fluorobenzoate Traditional Name: 4-fluorobenzoic acid piperidin-1-ium-4-ylmethyl ester Formula: C13H17FNO2+ MolecularWeight: 238.277983

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCC1COC(=O)C2=CC=C(C=C2)F

Isomeric SMILES

C1C[NH2+]CCC1COC(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C13H16FNO2/c14-12-3-1-11(2-4-12)13(16)17-9-10-5-7-15-8-6-10/h1-4,10,15H,5-9H2/p+1