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

Systemtic Name: [(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxidanylidene-propan-2-yl]-methyl-(2-phenoxyethyl)azanium Openeye Name: [(1S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-methyl-2-oxo-ethyl]-methyl-(2-phenoxyethyl)ammonium CAS Name: [(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl]-methyl-(2-phenoxyethyl)ammonium IUPAC Name: [(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl]-methyl-(2-phenoxyethyl)azanium Traditional Name: [(1S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-1-methyl-ethyl]-methyl-(2-phenoxyethyl)ammonium Formula: C20H25N2O4+ MolecularWeight: 357.4235

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCCO2)[NH+](C)CCOC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC2=C(C=C1)OCCO2)[NH+](C)CCOC3=CC=CC=C3

InChI

InChI=1S/C20H24N2O4/c1-15(22(2)10-11-24-17-6-4-3-5-7-17)20(23)21-16-8-9-18-19(14-16)26-13-12-25-18/h3-9,14-15H,10-13H2,1-2H3,(H,21,23)/p+1/t15-/m0/s1