ethyl (3S)-1-[(2,5-dimethylphenyl)methyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(2,5-dimethylphenyl)methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[(2,5-dimethylphenyl)methyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(2,5-dimethylphenyl)methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(2,5-dimethylphenyl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-(2,5-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=CC(=C2)C)C

Isomeric SMILES

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

InChI

InChI=1S/C17H25NO2/c1-4-20-17(19)15-6-5-9-18(11-15)12-16-10-13(2)7-8-14(16)3/h7-8,10,15H,4-6,9,11-12H2,1-3H3/p+1/t15-/m0/s1