[2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl-[(2-methylsulfanylpyrimidin-5-yl)methyl]azanium

Systemtic Name: [2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl-[(2-methylsulfanylpyrimidin-5-yl)methyl]azanium Openeye Name: [2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl-[(2-methylsulfanylpyrimidin-5-yl)methyl]ammonium CAS Name: [2-(1-azocanyl)-3-pyridin-1-iumyl]methyl-[[2-(methylthio)-5-pyrimidinyl]methyl]ammonium IUPAC Name: [2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl-[(2-methylsulfanylpyrimidin-5-yl)methyl]azanium Traditional Name: [2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl-[[2-(methylthio)pyrimidin-5-yl]methyl]ammonium Formula: C19H29N5S+2 MolecularWeight: 359.53206

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C=N1)C[NH2+]CC2=C([NH+]=CC=C2)N3CCCCCCC3

Isomeric SMILES

CSC1=NC=C(C=N1)C[NH2+]CC2=C([NH+]=CC=C2)N3CCCCCCC3

InChI

InChI=1S/C19H27N5S/c1-25-19-22-13-16(14-23-19)12-20-15-17-8-7-9-21-18(17)24-10-5-3-2-4-6-11-24/h7-9,13-14,20H,2-6,10-12,15H2,1H3/p+2