ethyl 1-(2-cyanoethyl)-4-phenyl-piperidin-1-ium-4-carboxylate chloride

Systemtic Name: ethyl 1-(2-cyanoethyl)-4-phenyl-piperidin-1-ium-4-carboxylate chloride Openeye Name: ethyl 1-(2-cyanoethyl)-4-phenyl-piperidin-1-ium-4-carboxylate chloride CAS Name: 1-(2-cyanoethyl)-4-phenyl-4-piperidin-1-iumcarboxylic acid ethyl ester chloride IUPAC Name: ethyl 1-(2-cyanoethyl)-4-phenylpiperidin-1-ium-4-carboxylate chloride Traditional Name: 1-(2-cyanoethyl)-4-phenyl-piperidin-1-ium-4-carboxylic acid ethyl ester chloride Formula: C17H23ClN2O2 MolecularWeight: 322.82972

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CCC#N)C2=CC=CC=C2.[Cl-]

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CCC#N)C2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C17H22N2O2.ClH/c1-2-21-16(20)17(15-7-4-3-5-8-15)9-13-19(14-10-17)12-6-11-18;/h3-5,7-8H,2,6,9-10,12-14H2,1H3;1H