Ammonium, (3-carbamoyl-3,3-diphenylpropyl)diisopropylmethyl-, methyl sulfate

HCID 60690

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Basic information

CAS: 119042-66-9
Standard SMILES: CC(C)[N+](C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)C(C)C.COS(=O)(=O)[O-]
InChIKey: JTBLDBBLERCTCX-UHFFFAOYSA-N
Molecular formula: C24H36N2O5S
Average molar mass: 464.6 g/mol
Monoisotopic mass: 464.23449343

Names & identifiers

Preferred name: Ammonium, (3-carbamoyl-3,3-diphenylpropyl)diisopropylmethyl-, methyl sulfate
IUPAC: (4-amino-4-oxo-3,3-diphenylbutyl)-methyl-di(propan-2-yl)azanium;methyl sulfate

Names & synonyms

119042-66-9(3-Carbamoyl-3,3-diphenylpropyl)diisopropylmethylammonium methyl sulfateAMMONIUM, (3-CARBAMOYL-3,3-DIPHENYLPROPYL)DIISOPROPYLMETHYL-, METHYL SULFATEDTXSID50152301RefChem:318856DTXCID20747924-amino-n-methyl-4-oxo-3,3-diphenyl-n,n-di(propan-2-yl)butan-1-aminium methyl sulfate

Database identifiers

CAS: 119042-66-9
PubChem CID: 60690
DTXSID: DTXSID50152301

Properties

Computed structural properties

Topological polar surface area: 118 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 8
Heavy atoms: 32
Formal charge: 0
Complexity: 510

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