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

Systemtic Name: (2-oxidanyl-1-phenyl-ethyl) 8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octane-3-carboxylate Openeye Name: (2-hydroxy-1-phenyl-ethyl) 8-isopropyl-8-methyl-8-azoniabicyclo[3.2.1]octane-3-carboxylate CAS Name: 8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octane-3-carboxylic acid (2-hydroxy-1-phenylethyl) ester IUPAC Name: (2-hydroxy-1-phenylethyl) 8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octane-3-carboxylate Traditional Name: 8-isopropyl-8-methyl-8-azoniabicyclo[3.2.1]octane-3-carboxylic acid (2-hydroxy-1-phenyl-ethyl) ester Formula: C20H30NO3+ MolecularWeight: 332.4571

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H30NO3/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/q+1