ethyl 3-[1-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-ium-1-yl]propanoate

Systemtic Name: ethyl 3-[1-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-ium-1-yl]propanoate Openeye Name: ethyl 3-[1-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-ium-1-yl]propanoate CAS Name: 3-[1-(6-fluoro-1,2-benzoxazol-3-yl)-1-piperidin-1-iumyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[1-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-ium-1-yl]propanoate Traditional Name: 3-[1-(6-fluoroindoxazen-3-yl)piperidin-1-ium-1-yl]propionic acid ethyl ester Formula: C17H22FN2O3+ MolecularWeight: 321.366583

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC[N+]1(CCCCC1)C2=NOC3=C2C=CC(=C3)F

Isomeric SMILES

CCOC(=O)CC[N+]1(CCCCC1)C2=NOC3=C2C=CC(=C3)F

InChI

InChI=1S/C17H22FN2O3/c1-2-22-16(21)8-11-20(9-4-3-5-10-20)17-14-7-6-13(18)12-15(14)23-19-17/h6-7,12H,2-5,8-11H2,1H3/q+1