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

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

Systemtic Name:ethyl (3R)-1-[(2,4-dimethylphenyl)methyl]piperidin-1-ium-3-carboxylate
Openeye Name:ethyl (3R)-1-[(2,4-dimethylphenyl)methyl]piperidin-1-ium-3-carboxylate
CAS Name:(3R)-1-[(2,4-dimethylphenyl)methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester
IUPAC Name:ethyl (3R)-1-[(2,4-dimethylphenyl)methyl]piperidin-1-ium-3-carboxylate
Traditional Name:(3R)-1-(2,4-dimethylbenzyl)piperidin-1-ium-3-carboxylic acid ethyl ester
Formula: C17H26NO2+
MolecularWeight: 276.39384
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C17H25NO2/c1-4-20-17(19)16-6-5-9-18(12-16)11-15-8-7-13(2)10-14(15)3/h7-8,10,16H,4-6,9,11-12H2,1-3H3/p+1/t16-/m1/s1


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