(2-oxidanyl-1-phenyl-ethyl) 8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octane-3-carboxylate bromide

Systemtic Name: (2-oxidanyl-1-phenyl-ethyl) 8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octane-3-carboxylate bromide Openeye Name: (2-hydroxy-1-phenyl-ethyl) 8-isopropyl-8-methyl-8-azoniabicyclo[3.2.1]octane-3-carboxylate bromide CAS Name: 8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octane-3-carboxylic acid (2-hydroxy-1-phenylethyl) ester bromide IUPAC Name: (2-hydroxy-1-phenylethyl) 8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octane-3-carboxylate bromide Traditional Name: 8-isopropyl-8-methyl-8-azoniabicyclo[3.2.1]octane-3-carboxylic acid (2-hydroxy-1-phenyl-ethyl) ester bromide Formula: C20H30BrNO3 MolecularWeight: 412.3611

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[N+]1(C2CCC1CC(C2)C(=O)OC(CO)C3=CC=CC=C3)C.[Br-]

Isomeric SMILES

CC(C)[N+]1(C2CCC1CC(C2)C(=O)OC(CO)C3=CC=CC=C3)C.[Br-]

InChI

InChI=1S/C20H30NO3.BrH/c1-14(2)21(3)17-9-10-18(21)12-16(11-17)20(23)24-19(13-22)15-7-5-4-6-8-15;/h4-8,14,16-19,22H,9-13H2,1-3H3;1H/q+1;/p-1