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2-[1-(diethylcarbamoyl)pyridin-1-ium-4-yl]ethanesulfonic acid

2-[1-(diethylcarbamoyl)pyridin-1-ium-4-yl]ethanesulfonic acid

Systemtic Name:2-[1-(diethylcarbamoyl)pyridin-1-ium-4-yl]ethanesulfonic acid
Openeye Name:2-[1-(diethylcarbamoyl)pyridin-1-ium-4-yl]ethanesulfonic acid
CAS Name:2-[1-[diethylamino(oxo)methyl]-4-pyridin-1-iumyl]ethanesulfonic acid
IUPAC Name:2-[1-(diethylcarbamoyl)pyridin-1-ium-4-yl]ethanesulfonic acid
Traditional Name:2-[1-(diethylcarbamoyl)pyridin-1-ium-4-yl]ethanesulfonic acid
Formula: C12H19N2O4S+
MolecularWeight: 287.35526
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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)[N+]1=CC=C(C=C1)CCS(=O)(=O)O


Isomeric SMILES

CCN(CC)C(=O)[N+]1=CC=C(C=C1)CCS(=O)(=O)O


InChI

InChI=1S/C12H18N2O4S/c1-3-13(4-2)12(15)14-8-5-11(6-9-14)7-10-19(16,17)18/h5-6,8-9H,3-4,7,10H2,1-2H3/p+1


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