3-[[1,3-benzodioxol-5-yl(pyridin-4-ylmethyl)carbamothioyl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[1,3-benzodioxol-5-yl(pyridin-4-ylmethyl)carbamothioyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[1,3-benzodioxol-5-yl(4-pyridylmethyl)carbamothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[1,3-benzodioxol-5-yl(pyridin-4-ylmethyl)amino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[1,3-benzodioxol-5-yl(pyridin-4-ylmethyl)carbamothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[[1,3-benzodioxol-5-yl(4-pyridylmethyl)thiocarbamoyl]amino]propyl-dimethyl-ammonium Formula: C19H25N4O2S+ MolecularWeight: 373.4924

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=S)N(CC1=CC=NC=C1)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

C[NH+](C)CCCNC(=S)N(CC1=CC=NC=C1)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C19H24N4O2S/c1-22(2)11-3-8-21-19(26)23(13-15-6-9-20-10-7-15)16-4-5-17-18(12-16)25-14-24-17/h4-7,9-10,12H,3,8,11,13-14H2,1-2H3,(H,21,26)/p+1