1,3-benzodioxol-5-ylmethyl-methyl-[(2R)-1-oxidanylidene-1-[(4-phenylmethoxyphenyl)amino]propan-2-yl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-methyl-[(2R)-1-oxidanylidene-1-[(4-phenylmethoxyphenyl)amino]propan-2-yl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(1R)-2-(4-benzyloxyanilino)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-methyl-[(2R)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-methyl-[(2R)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl]azanium Traditional Name: [(1R)-2-(4-benzoxyanilino)-2-keto-1-methyl-ethyl]-methyl-piperonyl-ammonium Formula: C25H27N2O4+ MolecularWeight: 419.49288

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)OCC2=CC=CC=C2)[NH+](C)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)OCC2=CC=CC=C2)[NH+](C)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C25H26N2O4/c1-18(27(2)15-20-8-13-23-24(14-20)31-17-30-23)25(28)26-21-9-11-22(12-10-21)29-16-19-6-4-3-5-7-19/h3-14,18H,15-17H2,1-2H3,(H,26,28)/p+1/t18-/m1/s1