[5-[(E)-but-2-enoxy]-4,6-bis(hydroxymethyl)pyridin-1-ium-3-yl]methanol

Systemtic Name: [5-[(E)-but-2-enoxy]-4,6-bis(hydroxymethyl)pyridin-1-ium-3-yl]methanol Openeye Name: [5-[(E)-but-2-enoxy]-4,6-bis(hydroxymethyl)pyridin-1-ium-3-yl]methanol CAS Name: [5-[(E)-but-2-enoxy]-4,6-bis(hydroxymethyl)-3-pyridin-1-iumyl]methanol IUPAC Name: [5-[(E)-but-2-enoxy]-4,6-bis(hydroxymethyl)pyridin-1-ium-3-yl]methanol Traditional Name: [5-[(E)-but-2-enoxy]-4,6-dimethylol-pyridin-1-ium-3-yl]methanol Formula: C12H18NO4+ MolecularWeight: 240.27562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=CCOC1=C(C(=C[NH+]=C1CO)CO)CO

Isomeric SMILES

C/C=C/COC1=C(C(=C[NH+]=C1CO)CO)CO

InChI

InChI=1S/C12H17NO4/c1-2-3-4-17-12-10(7-15)9(6-14)5-13-11(12)8-16/h2-3,5,14-16H,4,6-8H2,1H3/p+1/b3-2+