[5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridin-1-ium-4-yl]methylazanium

Systemtic Name: [5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridin-1-ium-4-yl]methylazanium Openeye Name: [3-hydroxy-5-(hydroxymethyl)-2-methyl-pyridin-1-ium-4-yl]methylammonium CAS Name: [3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridin-1-iumyl]methylammonium IUPAC Name: [3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-1-ium-4-yl]methylazanium Traditional Name: (3-hydroxy-2-methyl-5-methylol-pyridin-1-ium-4-yl)methylammonium Formula: C8H14N2O2+2 MolecularWeight: 170.20896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C=C(C(=C1O)C[NH3+])CO

Isomeric SMILES

CC1=[NH+]C=C(C(=C1O)C[NH3+])CO

InChI

InChI=1S/C8H12N2O2/c1-5-8(12)7(2-9)6(4-11)3-10-5/h3,11-12H,2,4,9H2,1H3/p+2