[(2S)-1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl]-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-methyl-azanium

Systemtic Name: [(2S)-1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl]-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-methyl-azanium Openeye Name: [(1S)-2-(tert-butylcarbamoylamino)-1-methyl-2-oxo-ethyl]-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-methyl-ammonium CAS Name: [(2S)-1-[[(tert-butylamino)-oxomethyl]amino]-1-oxopropan-2-yl]-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-methylammonium IUPAC Name: [(2S)-1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl]-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-methylazanium Traditional Name: [(1S)-2-(tert-butylcarbamoylamino)-2-keto-1-methyl-ethyl]-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-methyl-ammonium Formula: C18H28N3O4+ MolecularWeight: 350.43262

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC(C)(C)C)[NH+](C)CC1COC2=CC=CC=C2O1

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NC(C)(C)C)[NH+](C)C[C@@H]1COC2=CC=CC=C2O1

InChI

InChI=1S/C18H27N3O4/c1-12(16(22)19-17(23)20-18(2,3)4)21(5)10-13-11-24-14-8-6-7-9-15(14)25-13/h6-9,12-13H,10-11H2,1-5H3,(H2,19,20,22,23)/p+1/t12-,13+/m0/s1