ethyl (3S)-1-[2-(3-methylphenoxy)ethyl]piperidin-1-ium-3-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CCOC2=CC=CC(=C2)C

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CCOC2=CC=CC(=C2)C

InChI

InChI=1S/C17H25NO3/c1-3-20-17(19)15-7-5-9-18(13-15)10-11-21-16-8-4-6-14(2)12-16/h4,6,8,12,15H,3,5,7,9-11,13H2,1-2H3/p+1/t15-/m0/s1