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

Systemtic Name: [8-[(4-ethylphenyl)methyl]-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] 3-oxidanyl-2-phenyl-propanoate Openeye Name: [8-[(4-ethylphenyl)methyl]-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenyl-propanoate CAS Name: 3-hydroxy-2-phenylpropanoic acid [8-[(4-ethylphenyl)methyl]-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] ester IUPAC Name: [8-[(4-ethylphenyl)methyl]-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate Traditional Name: 3-hydroxy-2-phenyl-propionic acid [8-(4-ethylbenzyl)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] ester Formula: C26H34NO3+ MolecularWeight: 408.55306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C[N+]2(C3CCC2CC(C3)OC(=O)C(CO)C4=CC=CC=C4)C

Isomeric SMILES

CCC1=CC=C(C=C1)C[N+]2(C3CCC2CC(C3)OC(=O)C(CO)C4=CC=CC=C4)C

InChI

InChI=1S/C26H34NO3/c1-3-19-9-11-20(12-10-19)17-27(2)22-13-14-23(27)16-24(15-22)30-26(29)25(18-28)21-7-5-4-6-8-21/h4-12,22-25,28H,3,13-18H2,1-2H3/q+1