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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC2=C(C(=C(C=C2)OC)C)C

Isomeric SMILES

CCOC(=O)[C@@H]1CCC[NH+](C1)CC2=C(C(=C(C=C2)OC)C)C

InChI

InChI=1S/C18H27NO3/c1-5-22-18(20)16-7-6-10-19(12-16)11-15-8-9-17(21-4)14(3)13(15)2/h8-9,16H,5-7,10-12H2,1-4H3/p+1/t16-/m1/s1