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

Systemtic Name: ethyl (3S)-1-[2-(2-chloranylphenoxy)ethyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[2-(2-chlorophenoxy)ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-(2-chlorophenoxy)ethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-(2-chlorophenoxy)ethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-(2-chlorophenoxy)ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C16H23ClNO3+ MolecularWeight: 312.81172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CCOC2=CC=CC=C2Cl

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CCOC2=CC=CC=C2Cl

InChI

InChI=1S/C16H22ClNO3/c1-2-20-16(19)13-6-5-9-18(12-13)10-11-21-15-8-4-3-7-14(15)17/h3-4,7-8,13H,2,5-6,9-12H2,1H3/p+1/t13-/m0/s1