[8-methyl-8-[(4-phenylphenyl)methyl]-8-azoniabicyclo[3.2.1]octan-3-yl] 3-acetyloxy-2-phenyl-propanoate

Systemtic Name: [8-methyl-8-[(4-phenylphenyl)methyl]-8-azoniabicyclo[3.2.1]octan-3-yl] 3-acetyloxy-2-phenyl-propanoate Openeye Name: [8-methyl-8-[(4-phenylphenyl)methyl]-8-azoniabicyclo[3.2.1]octan-3-yl] 3-acetoxy-2-phenyl-propanoate CAS Name: 3-acetyloxy-2-phenylpropanoic acid [8-methyl-8-[(4-phenylphenyl)methyl]-8-azoniabicyclo[3.2.1]octan-3-yl] ester IUPAC Name: [8-methyl-8-[(4-phenylphenyl)methyl]-8-azoniabicyclo[3.2.1]octan-3-yl] 3-acetyloxy-2-phenylpropanoate Traditional Name: 3-acetoxy-2-phenyl-propionic acid [8-methyl-8-(4-phenylbenzyl)-8-azoniabicyclo[3.2.1]octan-3-yl] ester Formula: C32H36NO4+ MolecularWeight: 498.63254

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(C1=CC=CC=C1)C(=O)OC2CC3CCC(C2)[N+]3(C)CC4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

CC(=O)OCC(C1=CC=CC=C1)C(=O)OC2CC3CCC(C2)[N+]3(C)CC4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C32H36NO4/c1-23(34)36-22-31(27-11-7-4-8-12-27)32(35)37-30-19-28-17-18-29(20-30)33(28,2)21-24-13-15-26(16-14-24)25-9-5-3-6-10-25/h3-16,28-31H,17-22H2,1-2H3/q+1