ethyl (2Z)-2-cyano-2-[(2R,5R)-1,2,5-trimethylpiperidin-1-ium-4-ylidene]ethanoate

Systemtic Name: ethyl (2Z)-2-cyano-2-[(2R,5R)-1,2,5-trimethylpiperidin-1-ium-4-ylidene]ethanoate Openeye Name: ethyl (2Z)-2-cyano-2-[(2R,5R)-1,2,5-trimethylpiperidin-1-ium-4-ylidene]acetate CAS Name: (2Z)-2-cyano-2-[(2R,5R)-1,2,5-trimethyl-4-piperidin-1-iumylidene]acetic acid ethyl ester IUPAC Name: ethyl (2Z)-2-cyano-2-[(2R,5R)-1,2,5-trimethylpiperidin-1-ium-4-ylidene]acetate Traditional Name: (2Z)-2-cyano-2-[(2R,5R)-1,2,5-trimethylpiperidin-1-ium-4-ylidene]acetic acid ethyl ester Formula: C13H21N2O2+ MolecularWeight: 237.31804

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C1CC([NH+](CC1C)C)C)C#N

Isomeric SMILES

CCOC(=O)/C(=C\1/C[C@H]([NH+](C[C@@H]1C)C)C)/C#N

InChI

InChI=1S/C13H20N2O2/c1-5-17-13(16)12(7-14)11-6-10(3)15(4)8-9(11)2/h9-10H,5-6,8H2,1-4H3/p+1/b12-11-/t9-,10+/m0/s1