(1-phenethylpiperidin-1-ium-4-yl) 9H-fluorene-9-carboxylate chloride

Systemtic Name: (1-phenethylpiperidin-1-ium-4-yl) 9H-fluorene-9-carboxylate chloride Openeye Name: (1-phenethylpiperidin-1-ium-4-yl) 9H-fluorene-9-carboxylate chloride CAS Name: 9H-fluorene-9-carboxylic acid (1-phenethyl-4-piperidin-1-iumyl) ester chloride IUPAC Name: (1-phenethylpiperidin-1-ium-4-yl) 9H-fluorene-9-carboxylate chloride Traditional Name: 9H-fluorene-9-carboxylic acid (1-phenethylpiperidin-1-ium-4-yl) ester chloride Formula: C27H28ClNO2 MolecularWeight: 433.96972

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1OC(=O)C2C3=CC=CC=C3C4=CC=CC=C24)CCC5=CC=CC=C5.[Cl-]

Isomeric SMILES

C1C[NH+](CCC1OC(=O)C2C3=CC=CC=C3C4=CC=CC=C24)CCC5=CC=CC=C5.[Cl-]

InChI

InChI=1S/C27H27NO2.ClH/c29-27(26-24-12-6-4-10-22(24)23-11-5-7-13-25(23)26)30-21-15-18-28(19-16-21)17-14-20-8-2-1-3-9-20;/h1-13,21,26H,14-19H2;1H