5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridin-1-ium-4-carbaldehyde

Systemtic Name: 5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridin-1-ium-4-carbaldehyde Openeye Name: 3-hydroxy-5-(hydroxymethyl)-2-methyl-pyridin-1-ium-4-carbaldehyde CAS Name: 3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridin-1-iumcarboxaldehyde IUPAC Name: 3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-1-ium-4-carbaldehyde Traditional Name: 3-hydroxy-2-methyl-5-methylol-pyridin-1-ium-4-carbaldehyde Formula: C8H10NO3+ MolecularWeight: 168.1699

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C=C(C(=C1O)C=O)CO

Isomeric SMILES

CC1=[NH+]C=C(C(=C1O)C=O)CO

InChI

InChI=1S/C8H9NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,4,10,12H,3H2,1H3/p+1