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

Systemtic Name: [(2S)-1-azanyl-3-(1,3-benzodioxol-5-yl)-2-methyl-1-oxidanylidene-propan-2-yl]azanium Openeye Name: [(1S)-2-amino-1-(1,3-benzodioxol-5-ylmethyl)-1-methyl-2-oxo-ethyl]ammonium CAS Name: [(2S)-1-amino-3-(1,3-benzodioxol-5-yl)-2-methyl-1-oxopropan-2-yl]ammonium IUPAC Name: [(2S)-1-amino-3-(1,3-benzodioxol-5-yl)-2-methyl-1-oxopropan-2-yl]azanium Traditional Name: [(1S)-2-amino-2-keto-1-methyl-1-piperonyl-ethyl]ammonium Formula: C11H15N2O3+ MolecularWeight: 223.2484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@](CC1=CC2=C(C=C1)OCO2)(C(=O)N)[NH3+]

InChI

InChI=1S/C11H14N2O3/c1-11(13,10(12)14)5-7-2-3-8-9(4-7)16-6-15-8/h2-4H,5-6,13H2,1H3,(H2,12,14)/p+1/t11-/m0/s1