ethyl (3S)-1-[(4,5-dimethylfuran-2-yl)methyl]-3-(2-methoxyethyl)piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(4,5-dimethylfuran-2-yl)methyl]-3-(2-methoxyethyl)piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[(4,5-dimethyl-2-furyl)methyl]-3-(2-methoxyethyl)piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(4,5-dimethyl-2-furanyl)methyl]-3-(2-methoxyethyl)-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(4,5-dimethylfuran-2-yl)methyl]-3-(2-methoxyethyl)piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[(4,5-dimethyl-2-furyl)methyl]-3-(2-methoxyethyl)piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C18H30NO4+ MolecularWeight: 324.4351

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCC[NH+](C1)CC2=CC(=C(O2)C)C)CCOC

Isomeric SMILES

CCOC(=O)[C@@]1(CCC[NH+](C1)CC2=CC(=C(O2)C)C)CCOC

InChI

InChI=1S/C18H29NO4/c1-5-22-17(20)18(8-10-21-4)7-6-9-19(13-18)12-16-11-14(2)15(3)23-16/h11H,5-10,12-13H2,1-4H3/p+1/t18-/m0/s1