Basic information
- Standard SMILES
C[N+]1(C)CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@@H]1C5- InChIKey
UJSDOZFJXZOOGN-YKRRISCLSA-O- Molecular formula
- C18H22NO3+
- Average molar mass
- 300.4 g/mol
Names & identifiers
- Preferred name
- N-Methylmorphine
- IUPAC
- (4S,4aR,7S,7aR,12bS)-3,3-dimethyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-7,9-diol
Names & synonyms
N-Methylmorphine14168-11-7DTXSID10161797RefChem:1091957DTXCID4084288HNJ4VEK3VIMorphinanium, 7,8-didehydro-4,5-epoxy-3,6-dihydroxy-17,17-dimethyl-, (5alpha,6alpha)-(4S,4aR,7S,7aR,12bS)-3,3-dimethyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-7,9-dioln-methyl morphineSCHEMBL29400425UJSDOZFJXZOOGN-YKRRISCLSA-ONS00076169
Database identifiers
- PubChem CID
- 61063
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 1
- Complexity
- 532
Related reactions
3 records
Compound notes
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