2-[[5-(hydroxymethyl)-2-methyl-3-oxidanylidene-pyridin-1-ium-4-ylidene]methylamino]ethyl sulfate

Systemtic Name: 2-[[5-(hydroxymethyl)-2-methyl-3-oxidanylidene-pyridin-1-ium-4-ylidene]methylamino]ethyl sulfate Openeye Name: 2-[[5-(hydroxymethyl)-2-methyl-3-oxo-pyridin-1-ium-4-ylidene]methylamino]ethyl sulfate CAS Name: 2-[[5-(hydroxymethyl)-2-methyl-3-oxo-4-pyridin-1-iumylidene]methylamino]ethyl sulfate IUPAC Name: 2-[[5-(hydroxymethyl)-2-methyl-3-oxopyridin-1-ium-4-ylidene]methylamino]ethyl sulfate Traditional Name: 2-[(3-keto-2-methyl-5-methylol-pyridin-1-ium-4-ylidene)methylamino]ethyl sulfate Formula: C10H14N2O6S MolecularWeight: 290.29296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C=C(C(=CNCCOS(=O)(=O)[O-])C1=O)CO

Isomeric SMILES

CC1=[NH+]C=C(C(=CNCCOS(=O)(=O)[O-])C1=O)CO

InChI

InChI=1S/C10H14N2O6S/c1-7-10(14)9(8(6-13)4-12-7)5-11-2-3-18-19(15,16)17/h4-5,11,13H,2-3,6H2,1H3,(H,15,16,17)