4-[[(3R)-1-(furan-2-ylmethyl)piperidin-1-ium-3-yl]methyl]-1,4-oxazepane

Systemtic Name: 4-[[(3R)-1-(furan-2-ylmethyl)piperidin-1-ium-3-yl]methyl]-1,4-oxazepane Openeye Name: 4-[[(3R)-1-(2-furylmethyl)piperidin-1-ium-3-yl]methyl]-1,4-oxazepane CAS Name: 4-[[(3R)-1-(2-furanylmethyl)-3-piperidin-1-iumyl]methyl]-1,4-oxazepane IUPAC Name: 4-[[(3R)-1-(furan-2-ylmethyl)piperidin-1-ium-3-yl]methyl]-1,4-oxazepane Traditional Name: 4-[[(3R)-1-(2-furfuryl)piperidin-1-ium-3-yl]methyl]-1,4-oxazepane Formula: C16H27N2O2+ MolecularWeight: 279.39778

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CO2)CN3CCCOCC3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=CO2)CN3CCCOCC3

InChI

InChI=1S/C16H26N2O2/c1-4-15(12-17-7-3-9-19-11-8-17)13-18(6-1)14-16-5-2-10-20-16/h2,5,10,15H,1,3-4,6-9,11-14H2/p+1/t15-/m1/s1