ethyl 1-[(2,5-dimethylphenyl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(2,5-dimethylphenyl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(2,5-dimethylphenyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2,5-dimethylphenyl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2,5-dimethylphenyl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-(2,5-dimethylbenzyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C17H26NO2+ MolecularWeight: 276.39384

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC2=C(C=CC(=C2)C)C

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC2=C(C=CC(=C2)C)C

InChI

InChI=1S/C17H25NO2/c1-4-20-17(19)15-7-9-18(10-8-15)12-16-11-13(2)5-6-14(16)3/h5-6,11,15H,4,7-10,12H2,1-3H3/p+1