2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanylethyl-diethyl-azanium

Systemtic Name: 2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanylethyl-diethyl-azanium Openeye Name: 2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanylethyl-diethyl-ammonium CAS Name: 2-[[6-(1,3-benzodioxol-5-yl)-3-pyridazinyl]thio]ethyl-diethylammonium IUPAC Name: 2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanylethyl-diethylazanium Traditional Name: 2-[[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]thio]ethyl-diethyl-ammonium Formula: C17H22N3O2S+ MolecularWeight: 332.44048

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCSC1=NN=C(C=C1)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC[NH+](CC)CCSC1=NN=C(C=C1)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H21N3O2S/c1-3-20(4-2)9-10-23-17-8-6-14(18-19-17)13-5-7-15-16(11-13)22-12-21-15/h5-8,11H,3-4,9-10,12H2,1-2H3/p+1