3,4-Dimethoxy-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzene-1-carboximidic acid--hydrogen chloride (1/1)
Basic information
- CAS
37481-26-8- Standard SMILES
COc1ccc(C(=O)Nc2cccc3c2CCNC3)cc1OC.Cl- InChIKey
XMJUYBUOFXNDGN-UHFFFAOYSA-N- Molecular formula
- C18H21ClN2O3
- Average molar mass
- 348.8 g/mol
- Monoisotopic mass
- 348.1240702
Names & identifiers
- Preferred name
- 3,4-Dimethoxy-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzene-1-carboximidic acid--hydrogen chloride (1/1)
- IUPAC
- 3,4-dimethoxy-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide;hydrochloride
Names & synonyms
DTXSID6095857337481-26-83,4-Dimethoxy-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzene-1-carboximidic acid--hydrogen chloride (1/1)RefChem:1065778DTXCID901386476Isoquinoline, 1,2,3,4-tetrahydro-5-(3,4-dimethoxybenzamido)-, hydrochlorideSCHEMBL11733272XMJUYBUOFXNDGN-UHFFFAOYSA-NBenzamide, 3,4-dimethoxy-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)-, hydrochloride5-(3,4-dimethoxybenzamido)-1,2,3,4-tetrahydroisoquinoline hydrochloride
Database identifiers
- CAS
37481-26-8- PubChem CID
- 216581
- DTXSID
DTXSID60958573
Properties
Computed structural properties
- Topological polar surface area
- 59.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 404
Related reactions
1 records
Compound notes
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