(2S,3Z,5R)-3-(furan-2-ylmethylidene)-1,2,5-trimethyl-piperidin-1-ium-4-one

Systemtic Name: (2S,3Z,5R)-3-(furan-2-ylmethylidene)-1,2,5-trimethyl-piperidin-1-ium-4-one Openeye Name: (2S,3Z,5R)-3-(2-furylmethylene)-1,2,5-trimethyl-piperidin-1-ium-4-one CAS Name: (2S,3Z,5R)-3-(2-furanylmethylidene)-1,2,5-trimethyl-4-piperidin-1-iumone IUPAC Name: (2S,3Z,5R)-3-(furan-2-ylmethylidene)-1,2,5-trimethylpiperidin-1-ium-4-one Traditional Name: (2S,3Z,5R)-3-(2-furfurylidene)-1,2,5-trimethyl-piperidin-1-ium-4-one Formula: C13H18NO2+ MolecularWeight: 220.28752

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](C(C(=CC2=CC=CO2)C1=O)C)C

Isomeric SMILES

C[C@@H]1C[NH+]([C@H](/C(=C/C2=CC=CO2)/C1=O)C)C

InChI

InChI=1S/C13H17NO2/c1-9-8-14(3)10(2)12(13(9)15)7-11-5-4-6-16-11/h4-7,9-10H,8H2,1-3H3/p+1/b12-7-/t9-,10+/m1/s1