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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2O2/c1-3-5-8-18(4-2)14(12-17)13-6-7-15-16(11-13)20-10-9-19-15/h6-7,11,14H,3-5,8-10,12,17H2,1-2H3/p+2/t14-/m1/s1