(1R,5S)-3,7-ditert-butyl-1,5-diphenyl-3-aza-7-azoniabicyclo[3.3.1]nonan-9-one

Systemtic Name: (1R,5S)-3,7-ditert-butyl-1,5-diphenyl-3-aza-7-azoniabicyclo[3.3.1]nonan-9-one Openeye Name: (1R,5S)-3,7-ditert-butyl-1,5-diphenyl-3-aza-7-azoniabicyclo[3.3.1]nonan-9-one CAS Name: (1R,5S)-3,7-ditert-butyl-1,5-diphenyl-3-aza-7-azoniabicyclo[3.3.1]nonan-9-one IUPAC Name: (1R,5S)-3,7-ditert-butyl-1,5-diphenyl-3-aza-7-azoniabicyclo[3.3.1]nonan-9-one Traditional Name: (1R,5S)-3,7-ditert-butyl-1,5-diphenyl-3-aza-7-azoniabicyclo[3.3.1]nonan-9-one Formula: C27H37N2O+ MolecularWeight: 405.59548

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[NH+]1CC2(CN(CC(C1)(C2=O)C3=CC=CC=C3)C(C)(C)C)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)[NH+]1C[C@@]2(CN(C[C@](C1)(C2=O)C3=CC=CC=C3)C(C)(C)C)C4=CC=CC=C4

InChI

InChI=1S/C27H36N2O/c1-24(2,3)28-17-26(21-13-9-7-10-14-21)19-29(25(4,5)6)20-27(18-28,23(26)30)22-15-11-8-12-16-22/h7-16H,17-20H2,1-6H3/p+1/t26-,27+