2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[(2S)-1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[(2S)-1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl]azanium Openeye Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[(1S)-1-methyl-2-(methylcarbamoylamino)-2-oxo-ethyl]ammonium CAS Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]ammonium IUPAC Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]azanium Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(1S)-2-keto-1-methyl-2-(methylcarbamoylamino)ethyl]-methyl-ammonium Formula: C15H22N3O4+ MolecularWeight: 308.35288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC)[NH+](C)CC1=CC2=C(C=C1)OCCO2

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NC)[NH+](C)CC1=CC2=C(C=C1)OCCO2

InChI

InChI=1S/C15H21N3O4/c1-10(14(19)17-15(20)16-2)18(3)9-11-4-5-12-13(8-11)22-7-6-21-12/h4-5,8,10H,6-7,9H2,1-3H3,(H2,16,17,19,20)/p+1/t10-/m0/s1