1,3-benzodioxol-5-ylmethyl-[(2-methylsulfanylpyrimidin-5-yl)methyl]-(pyridin-4-ylmethyl)azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(2-methylsulfanylpyrimidin-5-yl)methyl]-(pyridin-4-ylmethyl)azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(2-methylsulfanylpyrimidin-5-yl)methyl]-(4-pyridylmethyl)ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[[2-(methylthio)-5-pyrimidinyl]methyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(2-methylsulfanylpyrimidin-5-yl)methyl]-(pyridin-4-ylmethyl)azanium Traditional Name: [2-(methylthio)pyrimidin-5-yl]methyl-piperonyl-(4-pyridylmethyl)ammonium Formula: C20H21N4O2S+ MolecularWeight: 381.47134

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C=N1)C[NH+](CC2=CC=NC=C2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CSC1=NC=C(C=N1)C[NH+](CC2=CC=NC=C2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H20N4O2S/c1-27-20-22-9-17(10-23-20)13-24(11-15-4-6-21-7-5-15)12-16-2-3-18-19(8-16)26-14-25-18/h2-10H,11-14H2,1H3/p+1