[(1R)-2-(1,3-benzodioxol-5-ylcarbamoylamino)-1-(furan-2-yl)ethyl]-dimethyl-azanium

Systemtic Name: [(1R)-2-(1,3-benzodioxol-5-ylcarbamoylamino)-1-(furan-2-yl)ethyl]-dimethyl-azanium Openeye Name: [(1R)-2-(1,3-benzodioxol-5-ylcarbamoylamino)-1-(2-furyl)ethyl]-dimethyl-ammonium CAS Name: [(1R)-2-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-1-(2-furanyl)ethyl]-dimethylammonium IUPAC Name: [(1R)-2-(1,3-benzodioxol-5-ylcarbamoylamino)-1-(furan-2-yl)ethyl]-dimethylazanium Traditional Name: [(1R)-2-(1,3-benzodioxol-5-ylcarbamoylamino)-1-(2-furyl)ethyl]-dimethyl-ammonium Formula: C16H20N3O4+ MolecularWeight: 318.3477

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)NC1=CC2=C(C=C1)OCO2)C3=CC=CO3

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)NC1=CC2=C(C=C1)OCO2)C3=CC=CO3

InChI

InChI=1S/C16H19N3O4/c1-19(2)12(13-4-3-7-21-13)9-17-16(20)18-11-5-6-14-15(8-11)23-10-22-14/h3-8,12H,9-10H2,1-2H3,(H2,17,18,20)/p+1/t12-/m1/s1