3-[[(3S)-3-(1,3-benzodioxol-5-yl)-6-methyl-heptyl]azaniumyl]propyl-dimethyl-azanium

Systemtic Name: 3-[[(3S)-3-(1,3-benzodioxol-5-yl)-6-methyl-heptyl]azaniumyl]propyl-dimethyl-azanium Openeye Name: 3-[[(3S)-3-(1,3-benzodioxol-5-yl)-6-methyl-heptyl]ammonio]propyl-dimethyl-ammonium CAS Name: 3-[[(3S)-3-(1,3-benzodioxol-5-yl)-6-methylheptyl]ammonio]propyl-dimethylammonium IUPAC Name: 3-[[(3S)-3-(1,3-benzodioxol-5-yl)-6-methylheptyl]azaniumyl]propyl-dimethylazanium Traditional Name: 3-[[(3S)-3-(1,3-benzodioxol-5-yl)-6-methyl-heptyl]ammonio]propyl-dimethyl-ammonium Formula: C20H36N2O2+2 MolecularWeight: 336.51204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H34N2O2/c1-16(2)6-7-17(10-12-21-11-5-13-22(3)4)18-8-9-19-20(14-18)24-15-23-19/h8-9,14,16-17,21H,5-7,10-13,15H2,1-4H3/p+2/t17-/m0/s1