1-[1-(2-bromophenyl)sulfanylpentyl]pyridin-1-ium-2-amine

Systemtic Name: 1-[1-(2-bromophenyl)sulfanylpentyl]pyridin-1-ium-2-amine Openeye Name: 1-[1-(2-bromophenyl)sulfanylpentyl]pyridin-1-ium-2-amine CAS Name: 1-[1-[(2-bromophenyl)thio]pentyl]-2-pyridin-1-iumamine IUPAC Name: 1-[1-(2-bromophenyl)sulfanylpentyl]pyridin-1-ium-2-amine Traditional Name: [1-[1-[(2-bromophenyl)thio]pentyl]pyridin-1-ium-2-yl]amine Formula: C16H20BrN2S+ MolecularWeight: 352.3124

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC([N+]1=CC=CC=C1N)SC2=CC=CC=C2Br

Isomeric SMILES

CCCCC([N+]1=CC=CC=C1N)SC2=CC=CC=C2Br

InChI

InChI=1S/C16H19BrN2S/c1-2-3-11-16(19-12-7-6-10-15(19)18)20-14-9-5-4-8-13(14)17/h4-10,12,16,18H,2-3,11H2,1H3/p+1