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

Systemtic Name: ethyl (3S)-1-[2-(3-methoxyphenoxy)ethyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[2-(3-methoxyphenoxy)ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-(3-methoxyphenoxy)ethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-(3-methoxyphenoxy)ethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-(3-methoxyphenoxy)ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C17H26NO4+ MolecularWeight: 308.39264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25NO4/c1-3-21-17(19)14-6-5-9-18(13-14)10-11-22-16-8-4-7-15(12-16)20-2/h4,7-8,12,14H,3,5-6,9-11,13H2,1-2H3/p+1/t14-/m0/s1