Name: Name:1-[4-(ethoxycarbonyl)piperidine-1-carbonyl]-3-methyl-1H-imidazol-3-ium iodide
Brand: Angene
SKU: AG019QR6
Rating: 90 (10 reviews)

1-[4-(ethoxycarbonyl)piperidine-1-carbonyl]-3-methyl-1H-imidazol-3-ium iodide

CAS No.:

1231952-31-0

Catalog Number:

AG019QR6

Molecular Formula:

C13H20IN3O3

Molecular Weight:

393.2207

Catalog Number:

AG019QR6

Chemical Name:

1-[4-(ethoxycarbonyl)piperidine-1-carbonyl]-3-methyl-1H-imidazol-3-ium iodide

CAS Number:

1231952-31-0

Molecular Formula:

C13H20IN3O3

Molecular Weight:

393.2207

MDL Number:

MFCD11099741

IUPAC Name:

ethyl 1-(3-methylimidazol-3-ium-1-carbonyl)piperidine-4-carboxylate;iodide

InChI:

InChI=1S/C13H20N3O3.HI/c1-3-19-12(17)11-4-6-15(7-5-11)13(18)16-9-8-14(2)10-16;/h8-11H,3-7H2,1-2H3;1H/q+1;/p-1

InChI Key:

GLSSRCHHIYKHNP-UHFFFAOYSA-M

SMILES:

CCOC(=O)C1CCN(CC1)C(=O)n1cc[n+](c1)C.[I-]

Complexity:

340

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

393.055g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

393.225g/mol

Monoisotopic Mass:

393.055g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count: