ethyl 1-(2-cyanoethyl)-4-phenylpiperidin-1-ium-4-carboxylate chloride

CAS: 98173-60-5

Molecular Formula	`C17H23ClN2O2`
Molecular Weight	322.8 g/mol
Topological Polar Surface Area	54.5 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	6
Exact Mass	322.1448
Heavy Atoms	22
Complexity	385.0

Chemical Identifiers

CAS Number	98173-60-5
SMILES	`CCOC(=O)C1(CC[NH+](CC1)CCC#N)C2=CC=CC=C2.[Cl-]`
InChIKey	`UOHASDIDBGTBKT-UHFFFAOYSA-N`

📖 Product Overview

ethyl 1-(2-cyanoethyl)-4-phenylpiperidin-1-ium-4-carboxylate chloride (CAS: 98173-60-5) is a chemical compound with molecular formula C17H23ClN2O2 and molecular weight 322.8 g/mol. Its IUPAC systematic name is ethyl 1-(2-cyanoethyl)-4-phenylpiperidin-1-ium-4-carboxylate chloride. Topological Polar Surface Area 54.5 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 4 Rotatable Bonds 6 Exact Mass 322.1448 Heavy Atoms 22 Complexity 385.0 InChI Key: UOHASDIDBGTBKT-UHFFFAOYSA-N. SMILES: CCOC(=O)C1(CC[NH+](CC1)CCC#N)C2=CC=CC=C2.[Cl-].

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