[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl]-methyl-(phenylmethyl)azanium

Systemtic Name: [(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl]-methyl-(phenylmethyl)azanium Openeye Name: [(1R)-2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl]-benzyl-methyl-ammonium CAS Name: [(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]-methyl-(phenylmethyl)ammonium IUPAC Name: [(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]-benzyl-methylazanium Traditional Name: [(1R)-2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl]-benzyl-methyl-ammonium Formula: C18H21N2O3+ MolecularWeight: 313.37094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)[NH+](C)CC3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)NC1=CC2=C(C=C1)OCO2)[NH+](C)CC3=CC=CC=C3

InChI

InChI=1S/C18H20N2O3/c1-13(20(2)11-14-6-4-3-5-7-14)18(21)19-15-8-9-16-17(10-15)23-12-22-16/h3-10,13H,11-12H2,1-2H3,(H,19,21)/p+1/t13-/m1/s1