diethyl-[2-[4-[(E)-4-piperidin-1-ium-1-ylbut-2-enyl]phenyl]carbonyloxyethyl]azanium dichloride

Systemtic Name: diethyl-[2-[4-[(E)-4-piperidin-1-ium-1-ylbut-2-enyl]phenyl]carbonyloxyethyl]azanium dichloride Openeye Name: diethyl-[2-[4-[(E)-4-piperidin-1-ium-1-ylbut-2-enyl]benzoyl]oxyethyl]ammonium dichloride CAS Name: diethyl-[2-[oxo-[4-[(E)-4-(1-piperidin-1-iumyl)but-2-enyl]phenyl]methoxy]ethyl]ammonium dichloride IUPAC Name: diethyl-[2-[4-[(E)-4-piperidin-1-ium-1-ylbut-2-enyl]benzoyl]oxyethyl]azanium dichloride Traditional Name: diethyl-[2-[4-[(E)-4-piperidin-1-ium-1-ylbut-2-enyl]benzoyl]oxyethyl]ammonium dichloride Formula: C22H36Cl2N2O2 MolecularWeight: 431.43944

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCOC(=O)C1=CC=C(C=C1)CC=CC[NH+]2CCCCC2.[Cl-].[Cl-]

Isomeric SMILES

CC[NH+](CC)CCOC(=O)C1=CC=C(C=C1)C/C=C/C[NH+]2CCCCC2.[Cl-].[Cl-]

InChI

InChI=1S/C22H34N2O2.2ClH/c1-3-23(4-2)18-19-26-22(25)21-13-11-20(12-14-21)10-6-9-17-24-15-7-5-8-16-24;;/h6,9,11-14H,3-5,7-8,10,15-19H2,1-2H3;2*1H/b9-6+;;