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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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