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

Systemtic Name: [(1R)-2-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-1-(furan-2-yl)ethyl]-dimethyl-azanium Openeye Name: [(1R)-2-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-1-(2-furyl)ethyl]-dimethyl-ammonium CAS Name: [(1R)-2-[[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]amino]-1-(2-furanyl)ethyl]-dimethylammonium IUPAC Name: [(1R)-2-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-1-(furan-2-yl)ethyl]-dimethylazanium Traditional Name: [(1R)-1-(2-furyl)-2-(piperonylthiocarbamoylamino)ethyl]-dimethyl-ammonium Formula: C17H22N3O3S+ MolecularWeight: 348.43988

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=S)NCC1=CC2=C(C=C1)OCO2)C3=CC=CO3

Isomeric SMILES

C[NH+](C)[C@H](CNC(=S)NCC1=CC2=C(C=C1)OCO2)C3=CC=CO3

InChI

InChI=1S/C17H21N3O3S/c1-20(2)13(14-4-3-7-21-14)10-19-17(24)18-9-12-5-6-15-16(8-12)23-11-22-15/h3-8,13H,9-11H2,1-2H3,(H2,18,19,24)/p+1/t13-/m1/s1