[(1S,2R)-2-(1,3-benzodioxol-5-yloxy)cycloheptyl]azanium

Systemtic Name: [(1S,2R)-2-(1,3-benzodioxol-5-yloxy)cycloheptyl]azanium Openeye Name: [(1S,2R)-2-(1,3-benzodioxol-5-yloxy)cycloheptyl]ammonium CAS Name: [(1S,2R)-2-(1,3-benzodioxol-5-yloxy)cycloheptyl]ammonium IUPAC Name: [(1S,2R)-2-(1,3-benzodioxol-5-yloxy)cycloheptyl]azanium Traditional Name: [(1S,2R)-2-(1,3-benzodioxol-5-yloxy)cycloheptyl]ammonium Formula: C14H20NO3+ MolecularWeight: 250.3135

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(CC1)OC2=CC3=C(C=C2)OCO3)[NH3+]

Isomeric SMILES

C1CC[C@@H]([C@@H](CC1)OC2=CC3=C(C=C2)OCO3)[NH3+]

InChI

InChI=1S/C14H19NO3/c15-11-4-2-1-3-5-12(11)18-10-6-7-13-14(8-10)17-9-16-13/h6-8,11-12H,1-5,9,15H2/p+1/t11-,12+/m0/s1