Ammonium, ((2-(4-hydroxy-N-methyl)anilino)ethyl)diethylmethyl-, iodide, methylcarbamate

HCID 46601

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 64046-28-2
Standard SMILES: CC[N+](C)(CC)CCN(C)c1ccc(OC(=O)NC)cc1.[I-]
InChIKey: GUHJPVIVQRNTQW-UHFFFAOYSA-N
Molecular formula: C16H28IN3O2
Average molar mass: 421.32 g/mol
Monoisotopic mass: 421.12262

Names & identifiers

Preferred name: Ammonium, ((2-(4-hydroxy-N-methyl)anilino)ethyl)diethylmethyl-, iodide, methylcarbamate
IUPAC: diethyl-methyl-[2-[N-methyl-4-(methylcarbamoyloxy)anilino]ethyl]azanium iodide

Names & synonyms

T-177964046-28-2Ammonium, ((2-(4-hydroxy-N-methyl)anilino)ethyl)diethylmethyl-, iodide, methylcarbamateCarbamic acid, N-methyl-, 4-(methyl(beta-diethylaminoethyl)amino)phenyl ester, monomethiodideAmmonium, ((2-(4-hydroxy-N-methyl)phenylamino)ethyl)diethylmethyl-, iodide, methylcarbamateRefChem:318615

Database identifiers

CAS: 64046-28-2
PubChem CID: 46601

Properties

Computed structural properties

Topological polar surface area: 41.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 8
Heavy atoms: 22
Formal charge: 0
Complexity: 311

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…