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

Systemtic Name: [(2S)-1-(1,3-benzodioxol-5-ylamino)-3-methyl-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1S)-1-(1,3-benzodioxol-5-ylcarbamoyl)-2-methyl-propyl]ammonium CAS Name: [(2S)-1-(1,3-benzodioxol-5-ylamino)-3-methyl-1-oxobutan-2-yl]ammonium IUPAC Name: [(2S)-1-(1,3-benzodioxol-5-ylamino)-3-methyl-1-oxobutan-2-yl]azanium Traditional Name: [(1S)-1-(1,3-benzodioxol-5-ylcarbamoyl)-2-methyl-propyl]ammonium Formula: C12H17N2O3+ MolecularWeight: 237.27498

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CC2=C(C=C1)OCO2)[NH3+]

Isomeric SMILES

CC(C)[C@@H](C(=O)NC1=CC2=C(C=C1)OCO2)[NH3+]

InChI

InChI=1S/C12H16N2O3/c1-7(2)11(13)12(15)14-8-3-4-9-10(5-8)17-6-16-9/h3-5,7,11H,6,13H2,1-2H3,(H,14,15)/p+1/t11-/m0/s1