Name: Name:Pyridinium, 3-(aminocarbonyl)-1-(phenylmethyl)-, bromide (1:1)
Brand: Angene
SKU: AG000UXR
Rating: 90 (10 reviews)

Pyridinium, 3-(aminocarbonyl)-1-(phenylmethyl)-, bromide (1:1)

CAS No.:

13076-43-2

Catalog Number:

AG000UXR

Molecular Formula:

C13H13BrN2O

Molecular Weight:

293.1591

Catalog Number:

AG000UXR

Chemical Name:

Pyridinium, 3-(aminocarbonyl)-1-(phenylmethyl)-, bromide (1:1)

CAS Number:

13076-43-2

Molecular Formula:

C13H13BrN2O

Molecular Weight:

293.1591

MDL Number:

MFCD00160345

IUPAC Name:

1-benzylpyridin-1-ium-3-carboxamide;bromide

InChI:

InChI=1S/C13H12N2O.BrH/c14-13(16)12-7-4-8-15(10-12)9-11-5-2-1-3-6-11;/h1-8,10H,9H2,(H-,14,16);1H

InChI Key:

JVLSWCJLFBOMJY-UHFFFAOYSA-N

SMILES:

NC(=O)c1ccc[n+](c1)Cc1ccccc1.[Br-]

Complexity:

236

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

292.021g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

293.164g/mol

Monoisotopic Mass:

292.021g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

47A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count: