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

Systemtic Name: ethyl (2S)-1-[(4-methoxy-3-methyl-phenyl)methyl]piperidin-1-ium-2-carboxylate Openeye Name: ethyl (2S)-1-[(4-methoxy-3-methyl-phenyl)methyl]piperidin-1-ium-2-carboxylate CAS Name: (2S)-1-[(4-methoxy-3-methylphenyl)methyl]-2-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (2S)-1-[(4-methoxy-3-methylphenyl)methyl]piperidin-1-ium-2-carboxylate Traditional Name: (2S)-1-(4-methoxy-3-methyl-benzyl)piperidin-1-ium-2-carboxylic acid ethyl ester Formula: C17H26NO3+ MolecularWeight: 292.39324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25NO3/c1-4-21-17(19)15-7-5-6-10-18(15)12-14-8-9-16(20-3)13(2)11-14/h8-9,11,15H,4-7,10,12H2,1-3H3/p+1/t15-/m0/s1