3-[[(1,3-benzodioxol-5-ylcarbonylamino)-(2-methylpropoxy)methylidene]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[(1,3-benzodioxol-5-ylcarbonylamino)-(2-methylpropoxy)methylidene]amino]propyl-dimethyl-azanium Openeye Name: 3-[[(1,3-benzodioxole-5-carbonylamino)-isobutoxy-methylene]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-(2-methylpropoxy)methylidene]amino]propyl-dimethylammonium IUPAC Name: 3-[[(1,3-benzodioxole-5-carbonylamino)-(2-methylpropoxy)methylidene]amino]propyl-dimethylazanium Traditional Name: 3-[[isobutoxy-(piperonyloylamino)methylene]amino]propyl-dimethyl-ammonium Formula: C18H28N3O4+ MolecularWeight: 350.43262

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=NCCC[NH+](C)C)NC(=O)C1=CC2=C(C=C1)OCO2

Isomeric SMILES

CC(C)COC(=NCCC[NH+](C)C)NC(=O)C1=CC2=C(C=C1)OCO2

InChI

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