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

Systemtic Name: 2-[[(3R)-3-(1,3-benzodioxol-5-yl)-3-phenyl-propanoyl]-methyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[[(3R)-3-(1,3-benzodioxol-5-yl)-3-phenyl-propanoyl]-methyl-amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(3R)-3-(1,3-benzodioxol-5-yl)-1-oxo-3-phenylpropyl]-methylamino]ethyl-dimethylammonium IUPAC Name: 2-[[(3R)-3-(1,3-benzodioxol-5-yl)-3-phenylpropanoyl]-methylamino]ethyl-dimethylazanium Traditional Name: 2-[[(3R)-3-(1,3-benzodioxol-5-yl)-3-phenyl-propanoyl]-methyl-amino]ethyl-dimethyl-ammonium Formula: C21H27N2O3+ MolecularWeight: 355.45068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3/c1-22(2)11-12-23(3)21(24)14-18(16-7-5-4-6-8-16)17-9-10-19-20(13-17)26-15-25-19/h4-10,13,18H,11-12,14-15H2,1-3H3/p+1/t18-/m1/s1