3-[[(2R)-4-(1,3-benzodioxol-5-yl)butan-2-yl]azaniumyl]propyl-dimethyl-azanium

Systemtic Name: 3-[[(2R)-4-(1,3-benzodioxol-5-yl)butan-2-yl]azaniumyl]propyl-dimethyl-azanium Openeye Name: 3-[[(1R)-3-(1,3-benzodioxol-5-yl)-1-methyl-propyl]ammonio]propyl-dimethyl-ammonium CAS Name: 3-[[(2R)-4-(1,3-benzodioxol-5-yl)butan-2-yl]ammonio]propyl-dimethylammonium IUPAC Name: 3-[[(2R)-4-(1,3-benzodioxol-5-yl)butan-2-yl]azaniumyl]propyl-dimethylazanium Traditional Name: 3-[[(1R)-3-(1,3-benzodioxol-5-yl)-1-methyl-propyl]ammonio]propyl-dimethyl-ammonium Formula: C16H28N2O2+2 MolecularWeight: 280.40572

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC2=C(C=C1)OCO2)[NH2+]CCC[NH+](C)C

Isomeric SMILES

C[C@H](CCC1=CC2=C(C=C1)OCO2)[NH2+]CCC[NH+](C)C

InChI

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