ethyl 1-(3-oxidanylidene-4,4-diphenyl-butyl)-4-phenyl-piperidin-1-ium-4-carboxylate bromide

Systemtic Name: ethyl 1-(3-oxidanylidene-4,4-diphenyl-butyl)-4-phenyl-piperidin-1-ium-4-carboxylate bromide Openeye Name: ethyl 1-(3-oxo-4,4-diphenyl-butyl)-4-phenyl-piperidin-1-ium-4-carboxylate bromide CAS Name: 1-(3-oxo-4,4-diphenylbutyl)-4-phenyl-4-piperidin-1-iumcarboxylic acid ethyl ester bromide IUPAC Name: ethyl 1-(3-oxo-4,4-diphenylbutyl)-4-phenylpiperidin-1-ium-4-carboxylate bromide Traditional Name: 1-(3-keto-4,4-diphenyl-butyl)-4-phenyl-piperidin-1-ium-4-carboxylic acid ethyl ester bromide Formula: C30H34BrNO3 MolecularWeight: 536.49986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H33NO3.BrH/c1-2-34-29(33)30(26-16-10-5-11-17-26)19-22-31(23-20-30)21-18-27(32)28(24-12-6-3-7-13-24)25-14-8-4-9-15-25;/h3-17,28H,2,18-23H2,1H3;1H