[(1R,9aR)-1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium-1-yl]methyl 3-bromanylbenzoate chloride

Systemtic Name: [(1R,9aR)-1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium-1-yl]methyl 3-bromanylbenzoate chloride Openeye Name: [(1R,9aR)-1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium-1-yl]methyl 3-bromobenzoate chloride CAS Name: 3-bromobenzoic acid [(1R,9aR)-1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium-1-yl]methyl ester chloride IUPAC Name: [(1R,9aR)-1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium-1-yl]methyl 3-bromobenzoate chloride Traditional Name: 3-bromobenzoic acid [(1R,9aR)-quinolizidin-5-ium-1-yl]methyl ester chloride Formula: C17H23BrClNO2 MolecularWeight: 388.72702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+]2CCCC(C2C1)COC(=O)C3=CC(=CC=C3)Br.[Cl-]

Isomeric SMILES

C1CC[NH+]2CCC[C@H]([C@H]2C1)COC(=O)C3=CC(=CC=C3)Br.[Cl-]

InChI

InChI=1S/C17H22BrNO2.ClH/c18-15-7-3-5-13(11-15)17(20)21-12-14-6-4-10-19-9-2-1-8-16(14)19;/h3,5,7,11,14,16H,1-2,4,6,8-10,12H2;1H/t14-,16+;/m0./s1