1-[(2S)-3-(furan-2-ylmethoxy)-2-oxidanyl-propyl]piperidin-1-ium-4-one

Systemtic Name: 1-[(2S)-3-(furan-2-ylmethoxy)-2-oxidanyl-propyl]piperidin-1-ium-4-one Openeye Name: 1-[(2S)-3-(2-furylmethoxy)-2-hydroxy-propyl]piperidin-1-ium-4-one CAS Name: 1-[(2S)-3-(2-furanylmethoxy)-2-hydroxypropyl]-4-piperidin-1-iumone IUPAC Name: 1-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]piperidin-1-ium-4-one Traditional Name: 1-[(2S)-3-(2-furfuryloxy)-2-hydroxy-propyl]piperidin-1-ium-4-one Formula: C13H20NO4+ MolecularWeight: 254.3022

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1=O)CC(COCC2=CC=CO2)O

Isomeric SMILES

C1C[NH+](CCC1=O)C[C@@H](COCC2=CC=CO2)O

InChI

InChI=1S/C13H19NO4/c15-11-3-5-14(6-4-11)8-12(16)9-17-10-13-2-1-7-18-13/h1-2,7,12,16H,3-6,8-10H2/p+1/t12-/m0/s1