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

Systemtic Name: [(4S)-3-methyl-3-(phenylmethyl)-3-azoniabicyclo[2.2.1]heptan-7-yl] 2-cycloheptyl-2-oxidanyl-2-phenyl-ethanoate Openeye Name: [(4S)-3-benzyl-3-methyl-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-(phenylmethyl)-3-azoniabicyclo[2.2.1]heptan-7-yl] ester IUPAC Name: [(4S)-3-benzyl-3-methyl-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-benzyl-3-methyl-3-azoniabicyclo[2.2.1]heptan-7-yl] ester Formula: C29H38NO3+ MolecularWeight: 448.61692

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CC2CCC1C2OC(=O)C(C3CCCCCC3)(C4=CC=CC=C4)O)CC5=CC=CC=C5

Isomeric SMILES

C[N+]1(CC2CC[C@H]1C2OC(=O)C(C3CCCCCC3)(C4=CC=CC=C4)O)CC5=CC=CC=C5

InChI

InChI=1S/C29H38NO3/c1-30(20-22-12-6-4-7-13-22)21-23-18-19-26(30)27(23)33-28(31)29(32,25-16-10-5-11-17-25)24-14-8-2-3-9-15-24/h4-7,10-13,16-17,23-24,26-27,32H,2-3,8-9,14-15,18-21H2,1H3/q+1/t23?,26-,27?,29?,30?/m0/s1