ethyl (3S)-1-[2-(4-prop-2-enoxyphenoxy)ethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[2-(4-prop-2-enoxyphenoxy)ethyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[2-(4-allyloxyphenoxy)ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-(4-prop-2-enoxyphenoxy)ethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-(4-prop-2-enoxyphenoxy)ethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-(4-allyloxyphenoxy)ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C19H28NO4+ MolecularWeight: 334.42992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27NO4/c1-3-13-23-17-7-9-18(10-8-17)24-14-12-20-11-5-6-16(15-20)19(21)22-4-2/h3,7-10,16H,1,4-6,11-15H2,2H3/p+1/t16-/m0/s1