ethyl 1-[3-(4-cyanophenoxy)propyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[3-(4-cyanophenoxy)propyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[3-(4-cyanophenoxy)propyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[3-(4-cyanophenoxy)propyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(4-cyanophenoxy)propyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[3-(4-cyanophenoxy)propyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C18H25N2O3+ MolecularWeight: 317.4027

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CCCOC2=CC=C(C=C2)C#N

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CCCOC2=CC=C(C=C2)C#N

InChI

InChI=1S/C18H24N2O3/c1-2-22-18(21)16-8-11-20(12-9-16)10-3-13-23-17-6-4-15(14-19)5-7-17/h4-7,16H,2-3,8-13H2,1H3/p+1