3-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)propyl-diethyl-azanium

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)propyl-diethyl-azanium Openeye Name: 3-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)propyl-diethyl-ammonium CAS Name: 3-[[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]amino]propyl-diethylammonium IUPAC Name: 3-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)propyl-diethylazanium Traditional Name: diethyl-[3-(piperonylthiocarbamoylamino)propyl]ammonium Formula: C16H26N3O2S+ MolecularWeight: 324.46154

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCNC(=S)NCC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CC[NH+](CC)CCCNC(=S)NCC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C16H25N3O2S/c1-3-19(4-2)9-5-8-17-16(22)18-11-13-6-7-14-15(10-13)21-12-20-14/h6-7,10H,3-5,8-9,11-12H2,1-2H3,(H2,17,18,22)/p+1