[8-methyl-8-(naphthalen-1-ylmethyl)-8-azoniabicyclo[3.2.1]octan-3-yl] 2-oxidanyl-2-phenyl-ethanoate

Systemtic Name: [8-methyl-8-(naphthalen-1-ylmethyl)-8-azoniabicyclo[3.2.1]octan-3-yl] 2-oxidanyl-2-phenyl-ethanoate Openeye Name: [8-methyl-8-(1-naphthylmethyl)-8-azoniabicyclo[3.2.1]octan-3-yl] 2-hydroxy-2-phenyl-acetate CAS Name: 2-hydroxy-2-phenylacetic acid [8-methyl-8-(1-naphthalenylmethyl)-8-azoniabicyclo[3.2.1]octan-3-yl] ester IUPAC Name: [8-methyl-8-(naphthalen-1-ylmethyl)-8-azoniabicyclo[3.2.1]octan-3-yl] 2-hydroxy-2-phenylacetate Traditional Name: 2-hydroxy-2-phenyl-acetic acid [8-methyl-8-(1-naphthylmethyl)-8-azoniabicyclo[3.2.1]octan-3-yl] ester Formula: C27H30NO3+ MolecularWeight: 416.532

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C2CCC1CC(C2)OC(=O)C(C3=CC=CC=C3)O)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

C[N+]1(C2CCC1CC(C2)OC(=O)C(C3=CC=CC=C3)O)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C27H30NO3/c1-28(18-21-12-7-11-19-8-5-6-13-25(19)21)22-14-15-23(28)17-24(16-22)31-27(30)26(29)20-9-3-2-4-10-20/h2-13,22-24,26,29H,14-18H2,1H3/q+1