[(1S)-2-azaniumyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-tert-butyl-ethyl-azanium

Systemtic Name: [(1S)-2-azaniumyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-tert-butyl-ethyl-azanium Openeye Name: [(1S)-2-azaniumyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-tert-butyl-ethyl-ammonium CAS Name: [(1S)-2-ammonio-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-tert-butyl-ethylammonium IUPAC Name: [(1S)-2-azaniumyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-tert-butyl-ethylazanium Traditional Name: [(1S)-2-ammonio-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-tert-butyl-ethyl-ammonium Formula: C16H28N2O2+2 MolecularWeight: 280.40572

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](C(C[NH3+])C1=CC2=C(C=C1)OCCO2)C(C)(C)C

Isomeric SMILES

CC[NH+]([C@H](C[NH3+])C1=CC2=C(C=C1)OCCO2)C(C)(C)C

InChI

InChI=1S/C16H26N2O2/c1-5-18(16(2,3)4)13(11-17)12-6-7-14-15(10-12)20-9-8-19-14/h6-7,10,13H,5,8-9,11,17H2,1-4H3/p+2/t13-/m1/s1