Ammonium, (2-hydroxybenzyl)trimethyl-, iodide, methylcarbamate

HCID 44933

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Basic information

CAS: 63884-46-8
Standard SMILES: CNC(=O)Oc1ccccc1C[N+](C)(C)C.[I-]
InChIKey: JVDCYRUTPUMLMD-UHFFFAOYSA-N
Molecular formula: C12H19IN2O2
Average molar mass: 350.2 g/mol
Monoisotopic mass: 350.04913

Names & identifiers

Preferred name: Ammonium, (2-hydroxybenzyl)trimethyl-, iodide, methylcarbamate
IUPAC: trimethyl-[[2-(methylcarbamoyloxy)phenyl]methyl]azanium iodide

Names & synonyms

(o-Hydroxybenzyl)trimethylammonium iodide methylcarbamateT-1180Ammonium, (2-(methylcarbamoyloxy)benzyl)trimethyl-, iodideAmmonium, (o-hydroxybenzyl)trimethyl-, iodide, methylcarbamateAMMONIUM, (2-HYDROXYBENZYL)TRIMETHYL-, IODIDE, METHYLCARBAMATECarbamic acid, N-methyl-, 2-(dimethylaminomethyl)phenyl ester, methiodide63884-46-8RefChem:318798

Database identifiers

CAS: 63884-46-8
PubChem CID: 44933

Properties

Computed structural properties

Topological polar surface area: 38.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 17
Formal charge: 0
Complexity: 236

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