Name: Name:1-[4-(methoxycarbonyl)piperidine-1-carbonyl]-3-methyl-1H-imidazol-3-ium iodide
Brand: Angene
SKU: AG019QRA
Rating: 90 (10 reviews)

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

CAS No.:

1231956-11-8

Catalog Number:

AG019QRA

Molecular Formula:

C12H18IN3O3

Molecular Weight:

379.1941

Catalog Number:

AG019QRA

Chemical Name:

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

CAS Number:

1231956-11-8

Molecular Formula:

C12H18IN3O3

Molecular Weight:

379.1941

MDL Number:

MFCD11099745

IUPAC Name:

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

InChI:

InChI=1S/C12H18N3O3.HI/c1-13-7-8-15(9-13)12(17)14-5-3-10(4-6-14)11(16)18-2;/h7-10H,3-6H2,1-2H3;1H/q+1;/p-1

InChI Key:

COGVXIHTJORHSQ-UHFFFAOYSA-M

SMILES:

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

Complexity:

327

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

379.039g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

379.198g/mol

Monoisotopic Mass:

379.039g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count: