1-[1-(2-bromophenyl)sulfanylpentyl]pyrimidin-1-ium-2-amine chloride

Systemtic Name: 1-[1-(2-bromophenyl)sulfanylpentyl]pyrimidin-1-ium-2-amine chloride Openeye Name: 1-[1-(2-bromophenyl)sulfanylpentyl]pyrimidin-1-ium-2-amine chloride CAS Name: 1-[1-[(2-bromophenyl)thio]pentyl]-2-pyrimidin-1-iumamine chloride IUPAC Name: 1-[1-(2-bromophenyl)sulfanylpentyl]pyrimidin-1-ium-2-amine chloride Traditional Name: [1-[1-[(2-bromophenyl)thio]pentyl]pyrimidin-1-ium-2-yl]amine chloride Formula: C15H19BrClN3S MolecularWeight: 388.75346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC([N+]1=CC=CN=C1N)SC2=CC=CC=C2Br.[Cl-]

Isomeric SMILES

CCCCC([N+]1=CC=CN=C1N)SC2=CC=CC=C2Br.[Cl-]

InChI

InChI=1S/C15H18BrN3S.ClH/c1-2-3-9-14(19-11-6-10-18-15(19)17)20-13-8-5-4-7-12(13)16;/h4-8,10-11,14,17H,2-3,9H2,1H3;1H