[3-[2-(1,3-benzodioxol-5-ylmethylcarbamothioyl)hydrazinyl]-3-oxidanylidene-propyl]-dimethyl-azanium

Systemtic Name: [3-[2-(1,3-benzodioxol-5-ylmethylcarbamothioyl)hydrazinyl]-3-oxidanylidene-propyl]-dimethyl-azanium Openeye Name: [3-[2-(1,3-benzodioxol-5-ylmethylcarbamothioyl)hydrazino]-3-oxo-propyl]-dimethyl-ammonium CAS Name: [3-[[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]hydrazo]-3-oxopropyl]-dimethylammonium IUPAC Name: [3-[2-(1,3-benzodioxol-5-ylmethylcarbamothioyl)hydrazinyl]-3-oxopropyl]-dimethylazanium Traditional Name: [3-keto-3-[N'-(piperonylthiocarbamoyl)hydrazino]propyl]-dimethyl-ammonium Formula: C14H21N4O3S+ MolecularWeight: 325.40654

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCC(=O)NNC(=S)NCC1=CC2=C(C=C1)OCO2

Isomeric SMILES

C[NH+](C)CCC(=O)NNC(=S)NCC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C14H20N4O3S/c1-18(2)6-5-13(19)16-17-14(22)15-8-10-3-4-11-12(7-10)21-9-20-11/h3-4,7H,5-6,8-9H2,1-2H3,(H,16,19)(H2,15,17,22)/p+1