3,4-Dihydro-6,7-dimethoxy-2-methylisoquinolinium
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Basic information
- CAS
32749-01-2- Standard SMILES
COc1cc2c(cc1OC)CC[N+](C)=C2- InChIKey
AWOUIWVQSFMVNU-UHFFFAOYSA-N- Molecular formula
- C12H16NO2+
- Average molar mass
- 206.26 g/mol
- Monoisotopic mass
- 206.11755517
Names & identifiers
- Preferred name
- 3,4-Dihydro-6,7-dimethoxy-2-methylisoquinolinium
- IUPAC
- 6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium
Names & synonyms
3,4-Dihydro-6,7-dimethoxy-2-methylisoquinoliniumDTXSID20123860832749-01-2RefChem:1065761DTXCID5014535386,7-dimethoxy-2-methyl-3,4-dihydroisoquinolinium6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-iumCHEMBL37607SCHEMBL3699579CHEMBL1178693BDBM50014649AKOS037503421
Show more names
RTE3_000037NCGC00246212-01PK04_181312isoquinolinium, 3,4-dihydro-6,7-dimethoxy-2-methyl-6,7-Dimethoxy-2-methyl-3,4-dihydro-isoquinolinium; iodideInChI=1/C12H16NO2/c1-13-5-4-9-6-11(14-2)12(15-3)7-10(9)8-13/h6-8H,4-5H2,1-3H3/q+
Database identifiers
- CAS
32749-01-2- PubChem CID
- 11110
- DTXSID
DTXSID201238608- ChEMBL
CHEMBL1178693、CHEMBL37607- Nikkaji
- J403.588G
Properties
Computed structural propertiesFilling in
- XLogP
- 1.2
- Topological polar surface area
- 21.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 1
- Complexity
- 252
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Related reactions
1 records
Compound notes
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