3-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]azaniumyl]propyl-diethyl-azanium

Systemtic Name: 3-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]azaniumyl]propyl-diethyl-azanium Openeye Name: 3-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]ammonio]propyl-diethyl-ammonium CAS Name: 3-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]ammonio]propyl-diethylammonium IUPAC Name: 3-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]azaniumyl]propyl-diethylazanium Traditional Name: 3-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]ammonio]propyl-diethyl-ammonium Formula: C16H28N2O2+2 MolecularWeight: 280.40572

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCC[NH2+]C(C)C1=CC2=C(C=C1)OCO2

Isomeric SMILES

CC[NH+](CC)CCC[NH2+][C@H](C)C1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C16H26N2O2/c1-4-18(5-2)10-6-9-17-13(3)14-7-8-15-16(11-14)20-12-19-15/h7-8,11,13,17H,4-6,9-10,12H2,1-3H3/p+2/t13-/m1/s1