[(4S)-3-methyl-3-(3-phenylpropyl)-3-azoniabicyclo[2.2.1]heptan-7-yl] 2-cycloheptyl-2-oxidanyl-2-phenyl-ethanoate

Systemtic Name: [(4S)-3-methyl-3-(3-phenylpropyl)-3-azoniabicyclo[2.2.1]heptan-7-yl] 2-cycloheptyl-2-oxidanyl-2-phenyl-ethanoate Openeye Name: [(4S)-3-methyl-3-(3-phenylpropyl)-3-azoniabicyclo[2.2.1]heptan-7-yl] 2-cycloheptyl-2-hydroxy-2-phenyl-acetate CAS Name: 2-cycloheptyl-2-hydroxy-2-phenylacetic acid [(4S)-3-methyl-3-(3-phenylpropyl)-3-azoniabicyclo[2.2.1]heptan-7-yl] ester IUPAC Name: [(4S)-3-methyl-3-(3-phenylpropyl)-3-azoniabicyclo[2.2.1]heptan-7-yl] 2-cycloheptyl-2-hydroxy-2-phenylacetate Traditional Name: 2-cycloheptyl-2-hydroxy-2-phenyl-acetic acid [(4S)-3-methyl-3-(3-phenylpropyl)-3-azoniabicyclo[2.2.1]heptan-7-yl] ester Formula: C31H42NO3+ MolecularWeight: 476.67008

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CC2CCC1C2OC(=O)C(C3CCCCCC3)(C4=CC=CC=C4)O)CCCC5=CC=CC=C5

Isomeric SMILES

C[N+]1(CC2CC[C@H]1C2OC(=O)C(C3CCCCCC3)(C4=CC=CC=C4)O)CCCC5=CC=CC=C5

InChI

InChI=1S/C31H42NO3/c1-32(22-12-15-24-13-6-4-7-14-24)23-25-20-21-28(32)29(25)35-30(33)31(34,27-18-10-5-11-19-27)26-16-8-2-3-9-17-26/h4-7,10-11,13-14,18-19,25-26,28-29,34H,2-3,8-9,12,15-17,20-23H2,1H3/q+1/t25?,28-,29?,31?,32?/m0/s1