ethyl 4-phenyl-1-(1-phenylcyclohexyl)piperidin-1-ium-4-carboxylate bromide

Systemtic Name: ethyl 4-phenyl-1-(1-phenylcyclohexyl)piperidin-1-ium-4-carboxylate bromide Openeye Name: ethyl 4-phenyl-1-(1-phenylcyclohexyl)piperidin-1-ium-4-carboxylate bromide CAS Name: 4-phenyl-1-(1-phenylcyclohexyl)-4-piperidin-1-iumcarboxylic acid ethyl ester bromide IUPAC Name: ethyl 4-phenyl-1-(1-phenylcyclohexyl)piperidin-1-ium-4-carboxylate bromide Traditional Name: 4-phenyl-1-(1-phenylcyclohexyl)piperidin-1-ium-4-carboxylic acid ethyl ester bromide Formula: C26H34BrNO2 MolecularWeight: 472.45766

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)C2(CCCCC2)C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)C2(CCCCC2)C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C26H33NO2.BrH/c1-2-29-24(28)25(22-12-6-3-7-13-22)18-20-27(21-19-25)26(16-10-5-11-17-26)23-14-8-4-9-15-23;/h3-4,6-9,12-15H,2,5,10-11,16-21H2,1H3;1H