3-[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]azaniumyl]propyl-diethyl-azanium

Systemtic Name: 3-[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]azaniumyl]propyl-diethyl-azanium Openeye Name: 3-[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]ammonio]propyl-diethyl-ammonium CAS Name: 3-[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]ammonio]propyl-diethylammonium IUPAC Name: 3-[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]azaniumyl]propyl-diethylazanium Traditional Name: 3-[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]ammonio]propyl-diethyl-ammonium Formula: C17H30N2O2+2 MolecularWeight: 294.4323

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCC[NH2+]C(C)C1=CC2=C(C=C1)OCCO2

Isomeric SMILES

CC[NH+](CC)CCC[NH2+][C@H](C)C1=CC2=C(C=C1)OCCO2

InChI

InChI=1S/C17H28N2O2/c1-4-19(5-2)10-6-9-18-14(3)15-7-8-16-17(13-15)21-12-11-20-16/h7-8,13-14,18H,4-6,9-12H2,1-3H3/p+2/t14-/m1/s1