[(1S,2S,4S)-2-(1,3-benzodioxol-5-yloxy)-4-tert-butyl-cyclohexyl]azanium

Systemtic Name: [(1S,2S,4S)-2-(1,3-benzodioxol-5-yloxy)-4-tert-butyl-cyclohexyl]azanium Openeye Name: [(1S,2S,4S)-2-(1,3-benzodioxol-5-yloxy)-4-tert-butyl-cyclohexyl]ammonium CAS Name: [(1S,2S,4S)-2-(1,3-benzodioxol-5-yloxy)-4-tert-butylcyclohexyl]ammonium IUPAC Name: [(1S,2S,4S)-2-(1,3-benzodioxol-5-yloxy)-4-tert-butylcyclohexyl]azanium Traditional Name: [(1S,2S,4S)-2-(1,3-benzodioxol-5-yloxy)-4-tert-butyl-cyclohexyl]ammonium Formula: C17H26NO3+ MolecularWeight: 292.39324

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(C(C1)OC2=CC3=C(C=C2)OCO3)[NH3+]

Isomeric SMILES

CC(C)(C)[C@H]1CC[C@@H]([C@H](C1)OC2=CC3=C(C=C2)OCO3)[NH3+]

InChI

InChI=1S/C17H25NO3/c1-17(2,3)11-4-6-13(18)15(8-11)21-12-5-7-14-16(9-12)20-10-19-14/h5,7,9,11,13,15H,4,6,8,10,18H2,1-3H3/p+1/t11-,13-,15-/m0/s1