2-[1-[2-(3-methylpyridin-1-ium-1-yl)ethyl]pyridin-1-ium-4-yl]ethanesulfonate bromide

Systemtic Name: 2-[1-[2-(3-methylpyridin-1-ium-1-yl)ethyl]pyridin-1-ium-4-yl]ethanesulfonate bromide Openeye Name: 2-[1-[2-(3-methylpyridin-1-ium-1-yl)ethyl]pyridin-1-ium-4-yl]ethanesulfonate bromide CAS Name: 2-[1-[2-(3-methyl-1-pyridin-1-iumyl)ethyl]-4-pyridin-1-iumyl]ethanesulfonate bromide IUPAC Name: 2-[1-[2-(3-methylpyridin-1-ium-1-yl)ethyl]pyridin-1-ium-4-yl]ethanesulfonate bromide Traditional Name: 2-[1-[2-(3-methylpyridin-1-ium-1-yl)ethyl]pyridin-1-ium-4-yl]ethanesulfonate bromide Formula: C15H19BrN2O3S MolecularWeight: 387.29196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC=C1)CC[N+]2=CC=C(C=C2)CCS(=O)(=O)[O-].[Br-]

Isomeric SMILES

CC1=C[N+](=CC=C1)CC[N+]2=CC=C(C=C2)CCS(=O)(=O)[O-].[Br-]

InChI

InChI=1S/C15H19N2O3S.BrH/c1-14-3-2-7-17(13-14)11-10-16-8-4-15(5-9-16)6-12-21(18,19)20;/h2-5,7-9,13H,6,10-12H2,1H3;1H/q+1;/p-1