1-Ethyl-3-(hydroxymethyl)pyridinium Ethyl Sulfate

Catalog Number

ACMA00016126

IUPAC Name

(1-ethylpyridin-1-ium-3-yl)methanol;ethyl sulfate

Molecular Weight

263.31

Molecular Formula

C10H17NO5S

Canonical SMILES

CC[N+]1=CC=CC(=C1)CO.CCOS(=O)(=O)[O-]

InChI

InChI=1S/C8H12NO.C2H6O4S/c1-2-9-5-3-4-8(6-9)7-10;1-2-6-7(3,4)5/h3-6,10H,2,7H2,1H3;2H2,1H3,(H,3,4,5)/q+1;/p-1

InChI Key

CIWXUAJJMSQGND-UHFFFAOYSA-M

Appearance

Liquid

Complexity

199

Covalently-Bonded Unit Count

2

Exact Mass

263.082744g/mol

Heavy Atom Count

17

Monoisotopic Mass

263.082744g/mol

• Catalog Number: ACMA00016126
• IUPAC Name: (1-ethylpyridin-1-ium-3-yl)methanol;ethyl sulfate
• Molecular Weight: 263.31
• Molecular Formula: C10H17NO5S
• Canonical SMILES: CC[N+]1=CC=CC(=C1)CO.CCOS(=O)(=O)[O-]
• InChI: InChI=1S/C8H12NO.C2H6O4S/c1-2-9-5-3-4-8(6-9)7-10;1-2-6-7(3,4)5/h3-6,10H,2,7H2,1H3;2H2,1H3,(H,3,4,5)/q+1;/p-1
• InChI Key: CIWXUAJJMSQGND-UHFFFAOYSA-M
• Appearance: Liquid
• Complexity: 199
• Covalently-Bonded Unit Count: 2
• Exact Mass: 263.082744g/mol
• Heavy Atom Count: 17
• Monoisotopic Mass: 263.082744g/mol