[2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethoxy]-5-phenyl-phenyl]methyl-dimethyl-azanium

Systemtic Name: [2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethoxy]-5-phenyl-phenyl]methyl-dimethyl-azanium Openeye Name: [2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethoxy]-5-phenyl-phenyl]methyl-dimethyl-ammonium CAS Name: [2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethoxy]-5-phenylphenyl]methyl-dimethylammonium IUPAC Name: [2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethoxy]-5-phenylphenyl]methyl-dimethylazanium Traditional Name: [2-[2-keto-2-(piperonylamino)ethoxy]-5-phenyl-benzyl]-dimethyl-ammonium Formula: C25H27N2O4+ MolecularWeight: 419.49288

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=C(C=CC(=C1)C2=CC=CC=C2)OCC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C[NH+](C)CC1=C(C=CC(=C1)C2=CC=CC=C2)OCC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

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