ethyl 1-[3-(2-cyanophenoxy)propyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[3-(2-cyanophenoxy)propyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[3-(2-cyanophenoxy)propyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[3-(2-cyanophenoxy)propyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(2-cyanophenoxy)propyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[3-(2-cyanophenoxy)propyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C18H25N2O3+ MolecularWeight: 317.4027

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CCCOC2=CC=CC=C2C#N

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CCCOC2=CC=CC=C2C#N

InChI

InChI=1S/C18H24N2O3/c1-2-22-18(21)15-8-11-20(12-9-15)10-5-13-23-17-7-4-3-6-16(17)14-19/h3-4,6-7,15H,2,5,8-13H2,1H3/p+1