(8-dodecyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) 3-oxidanyl-2-phenyl-propanoate

Systemtic Name: (8-dodecyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) 3-oxidanyl-2-phenyl-propanoate Openeye Name: (8-dodecyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenyl-propanoate CAS Name: 3-hydroxy-2-phenylpropanoic acid (8-dodecyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester IUPAC Name: (8-dodecyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenylpropanoate Traditional Name: 3-hydroxy-2-phenyl-propionic acid (8-lauryl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester Formula: C29H48NO3+ MolecularWeight: 458.69632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H48NO3/c1-3-4-5-6-7-8-9-10-11-15-20-30(2)25-18-19-26(30)22-27(21-25)33-29(32)28(23-31)24-16-13-12-14-17-24/h12-14,16-17,25-28,31H,3-11,15,18-23H2,1-2H3/q+1