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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CCCOC2=CC=CC=C2C#N

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CCCOC2=CC=CC=C2C#N

InChI

InChI=1S/C18H24N2O3/c1-2-22-18(21)16-8-5-10-20(14-16)11-6-12-23-17-9-4-3-7-15(17)13-19/h3-4,7,9,16H,2,5-6,8,10-12,14H2,1H3/p+1/t16-/m0/s1