[(1S)-2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-1-phenyl-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-1-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-1-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[3-(1,3-benzodioxol-5-yl)-1-oxopropyl]amino]-1-phenylethyl]-dimethylammonium IUPAC Name: [(1S)-2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-1-phenylethyl]-dimethylazanium Traditional Name: [(1S)-2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-1-phenyl-ethyl]-dimethyl-ammonium Formula: C20H25N2O3+ MolecularWeight: 341.4241

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)CCC1=CC2=C(C=C1)OCO2)C3=CC=CC=C3

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)CCC1=CC2=C(C=C1)OCO2)C3=CC=CC=C3

InChI

InChI=1S/C20H24N2O3/c1-22(2)17(16-6-4-3-5-7-16)13-21-20(23)11-9-15-8-10-18-19(12-15)25-14-24-18/h3-8,10,12,17H,9,11,13-14H2,1-2H3,(H,21,23)/p+1/t17-/m1/s1