1,3-benzodioxol-5-ylmethyl-methyl-[2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[2-(2-isopropylanilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium Traditional Name: [2-(2-isopropylanilino)-2-keto-ethyl]-methyl-piperonyl-ammonium Formula: C20H25N2O3+ MolecularWeight: 341.4241

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=O)C[NH+](C)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)C1=CC=CC=C1NC(=O)C[NH+](C)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C20H24N2O3/c1-14(2)16-6-4-5-7-17(16)21-20(23)12-22(3)11-15-8-9-18-19(10-15)25-13-24-18/h4-10,14H,11-13H2,1-3H3,(H,21,23)/p+1