Ammonium, (1,2,3,4-tetrahydro-5-hydroxynaphthyl)trimethyl-, iodide, methylcarbamate
Basic information
- CAS
63951-35-9- Standard SMILES
CNC(=O)Oc1cccc2c1CCCC2[N+](C)(C)C.[I-]- InChIKey
IJMQBRSWCNRIIR-UHFFFAOYSA-N- Molecular formula
- C15H23IN2O2
- Average molar mass
- 390.26 g/mol
- Monoisotopic mass
- 390.08043
Names & identifiers
- Preferred name
- Ammonium, (1,2,3,4-tetrahydro-5-hydroxynaphthyl)trimethyl-, iodide, methylcarbamate
- IUPAC
- trimethyl-[5-(methylcarbamoyloxy)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium iodide
Names & synonyms
TL-1889Ammonium, (1,2,3,4-tetrahydro-5-hydroxynaphthyl)trimethyl-, iodide, methylcarbamateCarbamic acid, methyl-, (5,6,7,8-tetrahydro-5-trimethylammonio)-2-naphthyl ester, iodideAmmonium, (1,2,3,4-tetrahydro-5-methylcarbamoyloxynaphthyl)trimethyl-, iodideCarbamic acid, N-methyl-, 5,6,7,8-tetrahydro-5-dimethylamino-2-naphthyl ester, methiodide63951-35-9RefChem:318672
Database identifiers
- CAS
63951-35-9- PubChem CID
- 45675
Properties
Computed structural properties
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 325
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Compound notes
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