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ethyl 1-(2-cyclohexyloxyethyl)-4-phenyl-piperidin-1-ium-4-carboxylate bromide

ethyl 1-(2-cyclohexyloxyethyl)-4-phenyl-piperidin-1-ium-4-carboxylate bromide

Systemtic Name:ethyl 1-(2-cyclohexyloxyethyl)-4-phenyl-piperidin-1-ium-4-carboxylate bromide
Openeye Name:ethyl 1-[2-(cyclohexoxy)ethyl]-4-phenyl-piperidin-1-ium-4-carboxylate bromide
CAS Name:1-(2-cyclohexyloxyethyl)-4-phenyl-4-piperidin-1-iumcarboxylic acid ethyl ester bromide
IUPAC Name:ethyl 1-(2-cyclohexyloxyethyl)-4-phenylpiperidin-1-ium-4-carboxylate bromide
Traditional Name:1-[2-(cyclohexoxy)ethyl]-4-phenyl-piperidin-1-ium-4-carboxylic acid ethyl ester bromide
Formula: C22H34BrNO3
MolecularWeight: 440.41426
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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CCOC2CCCCC2)C3=CC=CC=C3.[Br-]


Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CCOC2CCCCC2)C3=CC=CC=C3.[Br-]


InChI

InChI=1S/C22H33NO3.BrH/c1-2-25-21(24)22(19-9-5-3-6-10-19)13-15-23(16-14-22)17-18-26-20-11-7-4-8-12-20;/h3,5-6,9-10,20H,2,4,7-8,11-18H2,1H3;1H


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