[5-(3-azanylpropyl)-4-methyl-2-oxidanyl-6-oxidanylidene-1H-pyridin-3-yl]methanesulfonic acid

Systemtic Name: [5-(3-azanylpropyl)-4-methyl-2-oxidanyl-6-oxidanylidene-1H-pyridin-3-yl]methanesulfonic acid Openeye Name: [5-(3-aminopropyl)-2-hydroxy-4-methyl-6-oxo-1H-pyridin-3-yl]methanesulfonic acid CAS Name: [5-(3-aminopropyl)-2-hydroxy-4-methyl-6-oxo-1H-pyridin-3-yl]methanesulfonic acid IUPAC Name: [5-(3-aminopropyl)-2-hydroxy-4-methyl-6-oxo-1H-pyridin-3-yl]methanesulfonic acid Traditional Name: [5-(3-aminopropyl)-2-hydroxy-6-keto-4-methyl-1H-pyridin-3-yl]methanesulfonic acid Formula: C10H16N2O5S MolecularWeight: 276.30944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NC(=C1CS(=O)(=O)O)O)CCCN

Isomeric SMILES

CC1=C(C(=O)NC(=C1CS(=O)(=O)O)O)CCCN

InChI

InChI=1S/C10H16N2O5S/c1-6-7(3-2-4-11)9(13)12-10(14)8(6)5-18(15,16)17/h2-5,11H2,1H3,(H2,12,13,14)(H,15,16,17)