N-[[(3R)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-3-yl]methyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[[(3R)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-3-yl]methyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[(3R)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-3-yl]methyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[(3R)-1-[[2-(methylthio)-5-pyrimidinyl]methyl]-3-piperidin-1-iumyl]methyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[(3R)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-3-yl]methyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[[(3R)-1-[[2-(methylthio)pyrimidin-5-yl]methyl]piperidin-1-ium-3-yl]methyl]-piperonylamide Formula: C20H25N4O3S+ MolecularWeight: 401.5025

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C=N1)C[NH+]2CCCC(C2)CNC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CSC1=NC=C(C=N1)C[NH+]2CCC[C@@H](C2)CNC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H24N4O3S/c1-28-20-22-9-15(10-23-20)12-24-6-2-3-14(11-24)8-21-19(25)16-4-5-17-18(7-16)27-13-26-17/h4-5,7,9-10,14H,2-3,6,8,11-13H2,1H3,(H,21,25)/p+1/t14-/m1/s1