[(3S)-1-(furan-2-ylmethyl)piperidin-1-ium-3-yl]-(1,4-oxazepan-4-yl)methanone

Systemtic Name: [(3S)-1-(furan-2-ylmethyl)piperidin-1-ium-3-yl]-(1,4-oxazepan-4-yl)methanone Openeye Name: [(3S)-1-(2-furylmethyl)piperidin-1-ium-3-yl]-(1,4-oxazepan-4-yl)methanone CAS Name: [(3S)-1-(2-furanylmethyl)-3-piperidin-1-iumyl]-(1,4-oxazepan-4-yl)methanone IUPAC Name: [(3S)-1-(furan-2-ylmethyl)piperidin-1-ium-3-yl]-(1,4-oxazepan-4-yl)methanone Traditional Name: [(3S)-1-(2-furfuryl)piperidin-1-ium-3-yl]-(1,4-oxazepan-4-yl)methanone Formula: C16H25N2O3+ MolecularWeight: 293.3813

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CO2)C(=O)N3CCCOCC3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=CO2)C(=O)N3CCCOCC3

InChI

InChI=1S/C16H24N2O3/c19-16(18-7-3-9-20-11-8-18)14-4-1-6-17(12-14)13-15-5-2-10-21-15/h2,5,10,14H,1,3-4,6-9,11-13H2/p+1/t14-/m0/s1