1,3-benzodioxol-5-yl-[(2S)-1-(dimethylamino)-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: 1,3-benzodioxol-5-yl-[(2S)-1-(dimethylamino)-1-oxidanylidene-propan-2-yl]azanium Openeye Name: 1,3-benzodioxol-5-yl-[(1S)-2-(dimethylamino)-1-methyl-2-oxo-ethyl]ammonium CAS Name: 1,3-benzodioxol-5-yl-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]ammonium IUPAC Name: 1,3-benzodioxol-5-yl-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]azanium Traditional Name: 1,3-benzodioxol-5-yl-[(1S)-2-(dimethylamino)-2-keto-1-methyl-ethyl]ammonium Formula: C12H17N2O3+ MolecularWeight: 237.27498

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C)[NH2+]C1=CC2=C(C=C1)OCO2

Isomeric SMILES

C[C@@H](C(=O)N(C)C)[NH2+]C1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C12H16N2O3/c1-8(12(15)14(2)3)13-9-4-5-10-11(6-9)17-7-16-10/h4-6,8,13H,7H2,1-3H3/p+1/t8-/m0/s1