[(2R)-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoylamino]-2-phenyl-ethyl]-dimethyl-azanium

Systemtic Name: [(2R)-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoylamino]-2-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(2R)-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoylamino]-2-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(2R)-2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-oxopropyl]amino]-2-phenylethyl]-dimethylammonium IUPAC Name: [(2R)-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoylamino]-2-phenylethyl]-dimethylazanium Traditional Name: [(2R)-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoylamino]-2-phenyl-ethyl]-dimethyl-ammonium Formula: C21H27N2O3+ MolecularWeight: 355.45068

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC(C1=CC=CC=C1)NC(=O)CCC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

C[NH+](C)C[C@@H](C1=CC=CC=C1)NC(=O)CCC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C21H26N2O3/c1-23(2)15-18(17-6-4-3-5-7-17)22-21(24)11-9-16-8-10-19-20(14-16)26-13-12-25-19/h3-8,10,14,18H,9,11-13,15H2,1-2H3,(H,22,24)/p+1/t18-/m0/s1