Ammonium, ((3-hydroxy-2-pyridyl)methyl)trimethyl-, bromide, N-methyl-N-(p-tolyl)carbamate (ester)

HCID 48679

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Basic information

CAS: 66967-94-0
Standard SMILES: Cc1ccc(N(C)C(=O)Oc2cccnc2C[N+](C)(C)C)cc1.[Br-]
InChIKey: MPIQYPVPURRQQS-UHFFFAOYSA-M
Molecular formula: C18H24BrN3O2
Average molar mass: 394.3 g/mol
Monoisotopic mass: 393.10519

Names & identifiers

Preferred name: Ammonium, ((3-hydroxy-2-pyridyl)methyl)trimethyl-, bromide, N-methyl-N-(p-tolyl)carbamate (ester)
IUPAC: trimethyl-[[3-[methyl-(4-methylphenyl)carbamoyl]oxy-2-pyridinyl]methyl]azanium bromide

Names & synonyms

Ro 2-200766967-94-0Ammonium, ((3-hydroxy-2-pyridyl)methyl)trimethyl-, bromide, N-methyl-N-(p-tolyl)carbamate (ester)RefChem:318636DTXSID40985726N,N,N-trimethyl(3-{[methyl(4-methylphenyl)carbamoyl]oxy}pyridin-2-yl)methanaminium bromide

Database identifiers

CAS: 66967-94-0
PubChem CID: 48679
DTXSID: DTXSID40985726

Properties

Computed structural properties

Topological polar surface area: 42.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 24
Formal charge: 0
Complexity: 386

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