2-[1-(2-pyridin-1-ium-1-ylethyl)pyridin-1-ium-4-yl]ethanesulfonate bromide

Systemtic Name: 2-[1-(2-pyridin-1-ium-1-ylethyl)pyridin-1-ium-4-yl]ethanesulfonate bromide Openeye Name: 2-[1-(2-pyridin-1-ium-1-ylethyl)pyridin-1-ium-4-yl]ethanesulfonate bromide CAS Name: 2-[1-[2-(1-pyridin-1-iumyl)ethyl]-4-pyridin-1-iumyl]ethanesulfonate bromide IUPAC Name: 2-[1-(2-pyridin-1-ium-1-ylethyl)pyridin-1-ium-4-yl]ethanesulfonate bromide Traditional Name: 2-[1-(2-pyridin-1-ium-1-ylethyl)pyridin-1-ium-4-yl]ethanesulfonate bromide Formula: C14H17BrN2O3S MolecularWeight: 373.26538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N2O3S.BrH/c17-20(18,19)13-6-14-4-9-16(10-5-14)12-11-15-7-2-1-3-8-15;/h1-5,7-10H,6,11-13H2;1H/q+1;/p-1