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

Systemtic Name: 2-[1-(2-pyridin-1-ium-1-ylethyl)pyridin-1-ium-4-yl]ethanesulfonate Openeye Name: 2-[1-(2-pyridin-1-ium-1-ylethyl)pyridin-1-ium-4-yl]ethanesulfonate CAS Name: 2-[1-[2-(1-pyridin-1-iumyl)ethyl]-4-pyridin-1-iumyl]ethanesulfonate IUPAC Name: 2-[1-(2-pyridin-1-ium-1-ylethyl)pyridin-1-ium-4-yl]ethanesulfonate Traditional Name: 2-[1-(2-pyridin-1-ium-1-ylethyl)pyridin-1-ium-4-yl]ethanesulfonate Formula: C14H17N2O3S+ MolecularWeight: 293.36138

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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-]

Isomeric SMILES

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

InChI

InChI=1S/C14H17N2O3S/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/q+1