ethyl 1-(4,4-diphenylbut-3-enyl)-4-phenyl-piperidin-1-ium-4-carboxylate chloride

Systemtic Name: ethyl 1-(4,4-diphenylbut-3-enyl)-4-phenyl-piperidin-1-ium-4-carboxylate chloride Openeye Name: ethyl 1-(4,4-diphenylbut-3-enyl)-4-phenyl-piperidin-1-ium-4-carboxylate chloride CAS Name: 1-(4,4-diphenylbut-3-enyl)-4-phenyl-4-piperidin-1-iumcarboxylic acid ethyl ester chloride IUPAC Name: ethyl 1-(4,4-diphenylbut-3-enyl)-4-phenylpiperidin-1-ium-4-carboxylate chloride Traditional Name: 1-(4,4-diphenylbut-3-enyl)-4-phenyl-piperidin-1-ium-4-carboxylic acid ethyl ester chloride Formula: C30H34ClNO2 MolecularWeight: 476.04946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H33NO2.ClH/c1-2-33-29(32)30(27-17-10-5-11-18-27)20-23-31(24-21-30)22-12-19-28(25-13-6-3-7-14-25)26-15-8-4-9-16-26;/h3-11,13-19H,2,12,20-24H2,1H3;1H