Carbonic acid, (alpha-(1-((dimethylamino)methyl)ethyl)-2-thenyl) phenyl ester, hydrochloride

HCID 59074

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Basic information

CAS: 101911-98-2
Standard SMILES: CC(C[NH+](C)C)C(OC(=O)Oc1ccccc1)c1cccs1.[Cl-]
InChIKey: PNIGHPZJHZZSMD-UHFFFAOYSA-N
Molecular formula: C17H22ClNO3S
Average molar mass: 355.9 g/mol
Monoisotopic mass: 355.1008924

Names & identifiers

Preferred name: Carbonic acid, (alpha-(1-((dimethylamino)methyl)ethyl)-2-thenyl) phenyl ester, hydrochloride
IUPAC: dimethyl-(2-methyl-3-phenoxycarbonyloxy-3-thiophen-2-ylpropyl)azanium chloride

Names & synonyms

Carbonic acid, (alpha-(1-((dimethylamino)methyl)ethyl)-2-thenyl) phenyl ester, hydrochloride101911-98-2RefChem:1081209(alpha-(1-((Dimethylamino)methyl)ethyl)-2-thenyl) phenyl carbonate hydrochloride

Database identifiers

CAS: 101911-98-2
PubChem CID: 59074

Properties

Computed structural properties

Topological polar surface area: 68.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 8
Heavy atoms: 23
Formal charge: 0
Complexity: 345

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