2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(1S,2R,3S)-2,3-dimethylcyclohexyl]azanium

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(1S,2R,3S)-2,3-dimethylcyclohexyl]azanium Openeye Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(1S,2R,3S)-2,3-dimethylcyclohexyl]ammonium CAS Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(1S,2R,3S)-2,3-dimethylcyclohexyl]ammonium IUPAC Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(1S,2R,3S)-2,3-dimethylcyclohexyl]azanium Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(1S,2R,3S)-2,3-dimethylcyclohexyl]ammonium Formula: C17H26NO2+ MolecularWeight: 276.39384

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)[NH2+]CC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

C[C@H]1CCC[C@@H]([C@@H]1C)[NH2+]CC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C17H25NO2/c1-12-4-3-5-15(13(12)2)18-11-14-6-7-16-17(10-14)20-9-8-19-16/h6-7,10,12-13,15,18H,3-5,8-9,11H2,1-2H3/p+1/t12-,13+,15-/m0/s1