ethyl (2R)-1-[(4-methoxy-2,3-dimethyl-phenyl)methyl]piperidin-1-ium-2-carboxylate

Systemtic Name: ethyl (2R)-1-[(4-methoxy-2,3-dimethyl-phenyl)methyl]piperidin-1-ium-2-carboxylate Openeye Name: ethyl (2R)-1-[(4-methoxy-2,3-dimethyl-phenyl)methyl]piperidin-1-ium-2-carboxylate CAS Name: (2R)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (2R)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidin-1-ium-2-carboxylate Traditional Name: (2R)-1-(4-methoxy-2,3-dimethyl-benzyl)piperidin-1-ium-2-carboxylic acid ethyl ester Formula: C18H28NO3+ MolecularWeight: 306.41982

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCC[NH+]1CC2=C(C(=C(C=C2)OC)C)C

Isomeric SMILES

CCOC(=O)[C@H]1CCCC[NH+]1CC2=C(C(=C(C=C2)OC)C)C

InChI

InChI=1S/C18H27NO3/c1-5-22-18(20)16-8-6-7-11-19(16)12-15-9-10-17(21-4)14(3)13(15)2/h9-10,16H,5-8,11-12H2,1-4H3/p+1/t16-/m1/s1