Ammonium, (4-carboxy-3-hydroxycarbanilinomethyl)trimethyl-, iodide, methyl ester

HCID 26414

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Basic information

CAS: 14035-21-3
Standard SMILES: COC(=O)c1ccc(NC(=O)C[N+](C)(C)C)cc1O.[I-]
InChIKey: QALLICVLMVNBNX-UHFFFAOYSA-N
Molecular formula: C13H19IN2O4
Average molar mass: 394.21 g/mol
Monoisotopic mass: 394.03895

Names & identifiers

Preferred name: Ammonium, (4-carboxy-3-hydroxycarbanilinomethyl)trimethyl-, iodide, methyl ester
IUPAC: [2-(3-hydroxy-4-methoxycarbonylanilino)-2-oxoethyl]-trimethylazanium iodide

Names & synonyms

Methyl 4-(2-(dimethylamino)acetylamino)salicylate, methiodide14035-21-3Salicylic acid, 4-(2-dimethylaminoacetamido)-, methyl ester, methiodideAMMONIUM, (4-CARBOXY-3-HYDROXYCARBANILINOMETHYL)TRIMETHYL-, IODIDE, METHYL ESTERRefChem:318913

Database identifiers

CAS: 14035-21-3
PubChem CID: 26414

Properties

Computed structural properties

Topological polar surface area: 75.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 5
Heavy atoms: 20
Formal charge: 0
Complexity: 338

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