[8-methyl-8-[(4-phenoxyphenyl)methyl]-8-azoniabicyclo[3.2.1]octan-3-yl] benzoate

Systemtic Name: [8-methyl-8-[(4-phenoxyphenyl)methyl]-8-azoniabicyclo[3.2.1]octan-3-yl] benzoate Openeye Name: [8-methyl-8-[(4-phenoxyphenyl)methyl]-8-azoniabicyclo[3.2.1]octan-3-yl] benzoate CAS Name: benzoic acid [8-methyl-8-[(4-phenoxyphenyl)methyl]-8-azoniabicyclo[3.2.1]octan-3-yl] ester IUPAC Name: [8-methyl-8-[(4-phenoxyphenyl)methyl]-8-azoniabicyclo[3.2.1]octan-3-yl] benzoate Traditional Name: benzoic acid [8-methyl-8-(4-phenoxybenzyl)-8-azoniabicyclo[3.2.1]octan-3-yl] ester Formula: C28H30NO3+ MolecularWeight: 428.5427

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C2CCC1CC(C2)OC(=O)C3=CC=CC=C3)CC4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

C[N+]1(C2CCC1CC(C2)OC(=O)C3=CC=CC=C3)CC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C28H30NO3/c1-29(20-21-12-16-26(17-13-21)31-25-10-6-3-7-11-25)23-14-15-24(29)19-27(18-23)32-28(30)22-8-4-2-5-9-22/h2-13,16-17,23-24,27H,14-15,18-20H2,1H3/q+1