4,6-dimethyl-2-(4-pyridin-1-ium-1-ylbutylsulfanyl)pyrimidine bromide

Systemtic Name: 4,6-dimethyl-2-(4-pyridin-1-ium-1-ylbutylsulfanyl)pyrimidine bromide Openeye Name: 4,6-dimethyl-2-(4-pyridin-1-ium-1-ylbutylsulfanyl)pyrimidine bromide CAS Name: 4,6-dimethyl-2-[4-(1-pyridin-1-iumyl)butylthio]pyrimidine bromide IUPAC Name: 4,6-dimethyl-2-(4-pyridin-1-ium-1-ylbutylsulfanyl)pyrimidine bromide Traditional Name: 4,6-dimethyl-2-(4-pyridin-1-ium-1-ylbutylthio)pyrimidine bromide Formula: C15H20BrN3S MolecularWeight: 354.3084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCCCC[N+]2=CC=CC=C2)C.[Br-]

Isomeric SMILES

CC1=CC(=NC(=N1)SCCCC[N+]2=CC=CC=C2)C.[Br-]

InChI

InChI=1S/C15H20N3S.BrH/c1-13-12-14(2)17-15(16-13)19-11-7-6-10-18-8-4-3-5-9-18;/h3-5,8-9,12H,6-7,10-11H2,1-2H3;1H/q+1;/p-1