[(1S,2S,4S)-4-tert-butyl-2-phenoxy-cyclohexyl]azanium

Systemtic Name: [(1S,2S,4S)-4-tert-butyl-2-phenoxy-cyclohexyl]azanium Openeye Name: [(1S,2S,4S)-4-tert-butyl-2-phenoxy-cyclohexyl]ammonium CAS Name: [(1S,2S,4S)-4-tert-butyl-2-phenoxycyclohexyl]ammonium IUPAC Name: [(1S,2S,4S)-4-tert-butyl-2-phenoxycyclohexyl]azanium Traditional Name: [(1S,2S,4S)-4-tert-butyl-2-phenoxy-cyclohexyl]ammonium Formula: C16H26NO+ MolecularWeight: 248.38374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(C(C1)OC2=CC=CC=C2)[NH3+]

Isomeric SMILES

CC(C)(C)[C@H]1CC[C@@H]([C@H](C1)OC2=CC=CC=C2)[NH3+]

InChI

InChI=1S/C16H25NO/c1-16(2,3)12-9-10-14(17)15(11-12)18-13-7-5-4-6-8-13/h4-8,12,14-15H,9-11,17H2,1-3H3/p+1/t12-,14-,15-/m0/s1