[(2S)-2-(azaniumylmethyl)-3-(1,3-benzodioxol-5-yl)propyl]-dimethyl-azanium

Systemtic Name: [(2S)-2-(azaniumylmethyl)-3-(1,3-benzodioxol-5-yl)propyl]-dimethyl-azanium Openeye Name: [(2S)-2-(azaniumylmethyl)-3-(1,3-benzodioxol-5-yl)propyl]-dimethyl-ammonium CAS Name: [(2S)-2-(ammoniomethyl)-3-(1,3-benzodioxol-5-yl)propyl]-dimethylammonium IUPAC Name: [(2S)-2-(azaniumylmethyl)-3-(1,3-benzodioxol-5-yl)propyl]-dimethylazanium Traditional Name: [(2S)-2-(ammoniomethyl)-3-(1,3-benzodioxol-5-yl)propyl]-dimethyl-ammonium Formula: C13H22N2O2+2 MolecularWeight: 238.32598

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC(CC1=CC2=C(C=C1)OCO2)C[NH3+]

Isomeric SMILES

C[NH+](C)C[C@@H](CC1=CC2=C(C=C1)OCO2)C[NH3+]

InChI

InChI=1S/C13H20N2O2/c1-15(2)8-11(7-14)5-10-3-4-12-13(6-10)17-9-16-12/h3-4,6,11H,5,7-9,14H2,1-2H3/p+2/t11-/m0/s1