2-[[(3R)-3-(1,3-benzodioxol-5-yl)-3-phenyl-propanoyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[(3R)-3-(1,3-benzodioxol-5-yl)-3-phenyl-propanoyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[[(3R)-3-(1,3-benzodioxol-5-yl)-3-phenyl-propanoyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(3R)-3-(1,3-benzodioxol-5-yl)-1-oxo-3-phenylpropyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[(3R)-3-(1,3-benzodioxol-5-yl)-3-phenylpropanoyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[(3R)-3-(1,3-benzodioxol-5-yl)-3-phenyl-propanoyl]amino]ethyl-dimethyl-ammonium Formula: C20H25N2O3+ MolecularWeight: 341.4241

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[NH+](C)CCNC(=O)C[C@H](C1=CC=CC=C1)C2=CC3=C(C=C2)OCO3

InChI

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