ethyl (3S)-1-[2-[(3-cyano-4,5-dimethyl-furan-2-yl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[2-[(3-cyano-4,5-dimethyl-furan-2-yl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[2-[(3-cyano-4,5-dimethyl-2-furyl)amino]-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-[(3-cyano-4,5-dimethyl-2-furanyl)amino]-2-oxoethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-[(3-cyano-4,5-dimethylfuran-2-yl)amino]-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-[(3-cyano-4,5-dimethyl-2-furyl)amino]-2-keto-ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C17H24N3O4+ MolecularWeight: 334.39016

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC(=O)NC2=C(C(=C(O2)C)C)C#N

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC(=O)NC2=C(C(=C(O2)C)C)C#N

InChI

InChI=1S/C17H23N3O4/c1-4-23-17(22)13-6-5-7-20(9-13)10-15(21)19-16-14(8-18)11(2)12(3)24-16/h13H,4-7,9-10H2,1-3H3,(H,19,21)/p+1/t13-/m0/s1