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

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC2=C(C=C1)OCO2)CC(=O)NCCCC3=CC=CC=C3

Isomeric SMILES

C[NH+](CC1=CC2=C(C=C1)OCO2)CC(=O)NCCCC3=CC=CC=C3

InChI

InChI=1S/C20H24N2O3/c1-22(13-17-9-10-18-19(12-17)25-15-24-18)14-20(23)21-11-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-10,12H,5,8,11,13-15H2,1H3,(H,21,23)/p+1