Basic information
- CAS
75847-64-2- Standard SMILES
CCOC(=O)CC1(C)NCCc2c1[nH]c1ccccc21.Cl- InChIKey
KVNLXQLSHPQBGK-UHFFFAOYSA-N- Molecular formula
- C16H21ClN2O2
- Average molar mass
- 308.8 g/mol
- Monoisotopic mass
- 308.1291556
Overview
structure
Names & identifiers
- Preferred name
- Carbonylmethyltetrahydro-beta-carboline
- IUPAC
- ethyl 2-(1-methyl-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)acetate;hydrochloride
Names & synonyms
Carbonylmethyltetrahydro-beta-carboline75847-64-21-Ethoxycarbonylmethyl-1-methyl-1,2,3,4-tetrahydro-beta-carbolin-2-ium chloride1H-Pyrido(3,4-b)indole-1-acetic acid, 2,3,4,9-tetrahydro-1-methyl-, ethyl ester, monohydrochloride, (+-)-RefChem:123646DTXSID70997231ethyl 2-(1-methyl-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)acetate;hydrochlorideEthyl (1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)acetate--hydrogen chloride (1/1)
Database identifiers
- CAS
75847-64-2- PubChem CID
- 192045
- DTXSID
DTXSID70997231
Properties
Computed structural properties
- Topological polar surface area
- 54.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 373
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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