3-[[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]azaniumyl]propyl-dimethyl-azanium

Systemtic Name: 3-[[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]azaniumyl]propyl-dimethyl-azanium Openeye Name: 3-[[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]ammonio]propyl-dimethyl-ammonium CAS Name: 3-[[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]ammonio]propyl-dimethylammonium IUPAC Name: 3-[[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]azaniumyl]propyl-dimethylazanium Traditional Name: 3-[[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]ammonio]propyl-dimethyl-ammonium Formula: C14H24N2O2+2 MolecularWeight: 252.35256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22N2O2/c1-11(15-7-4-8-16(2)3)12-5-6-13-14(9-12)18-10-17-13/h5-6,9,11,15H,4,7-8,10H2,1-3H3/p+2/t11-/m0/s1