N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-4-yl]propanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-4-yl]propanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-4-yl]propanamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-[[2-(methylthio)-5-pyrimidinyl]methyl]-4-piperidin-1-iumyl]propanamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-4-yl]propanamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-[[2-(methylthio)pyrimidin-5-yl]methyl]piperidin-1-ium-4-yl]propionamide Formula: C22H29N4O3S+ MolecularWeight: 429.55566

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C=N1)C[NH+]2CCC(CC2)CCC(=O)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CSC1=NC=C(C=N1)C[NH+]2CCC(CC2)CCC(=O)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C22H28N4O3S/c1-30-22-23-13-17(14-24-22)15-26-8-6-16(7-9-26)2-5-21(27)25-18-3-4-19-20(12-18)29-11-10-28-19/h3-4,12-14,16H,2,5-11,15H2,1H3,(H,25,27)/p+1