2-[1-(2-azanyl-2-oxidanylidene-ethyl)pyridin-1-ium-4-yl]ethanesulfonate

Systemtic Name: 2-[1-(2-azanyl-2-oxidanylidene-ethyl)pyridin-1-ium-4-yl]ethanesulfonate Openeye Name: 2-[1-(2-amino-2-oxo-ethyl)pyridin-1-ium-4-yl]ethanesulfonate CAS Name: 2-[1-(2-amino-2-oxoethyl)-4-pyridin-1-iumyl]ethanesulfonate IUPAC Name: 2-[1-(2-amino-2-oxoethyl)pyridin-1-ium-4-yl]ethanesulfonate Traditional Name: 2-[1-(2-amino-2-keto-ethyl)pyridin-1-ium-4-yl]ethanesulfonate Formula: C9H12N2O4S MolecularWeight: 244.26758

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Descriptors Computed from Structure

Canonical SMILES:

C1=C[N+](=CC=C1CCS(=O)(=O)[O-])CC(=O)N

Isomeric SMILES

C1=C[N+](=CC=C1CCS(=O)(=O)[O-])CC(=O)N

InChI

InChI=1S/C9H12N2O4S/c10-9(12)7-11-4-1-8(2-5-11)3-6-16(13,14)15/h1-2,4-5H,3,6-7H2,(H2-,10,12,13,14,15)