{12H-[1,3]Dioxolo[5,6]indeno[1,2-c]isoquinolinium,} 2, 3-dimethoxy-6-methyl-, chloride
Basic information
- CAS
87922-29-0- Standard SMILES
COc1cc2c[n+](C)c3c(c2cc1OC)Cc1cc2c(cc1-3)OCO2- InChIKey
BNZWWTDWUHRJGM-UHFFFAOYSA-N- Molecular formula
- C20H18NO4+
- Average molar mass
- 336.4 g/mol
- Monoisotopic mass
- 336.12358306
Names & identifiers
- Preferred name
- {12H-[1,3]Dioxolo[5,6]indeno[1,2-c]isoquinolinium,} 2, 3-dimethoxy-6-methyl-, chloride
- IUPAC
- 15,16-dimethoxy-20-methyl-5,7-dioxa-20-azoniapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17,19-octaene
Names & synonyms
NSC339330CHEMBL1177960NCI60_003003{12H-[1,3]Dioxolo[5,6]indeno[1,2-c]isoquinolinium,} 2, 3-dimethoxy-6-methyl-, chloride2,3-Dimethoxy-6-methyl-12H-6.lambda.~5~-[1,3]dioxolo[4',5':5,6]indeno[1,2-c]isoquinoline
Database identifiers
- CAS
87922-29-0- PubChem CID
- 494248
- ChEMBL
CHEMBL1177960- Nikkaji
- J533.243E
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 40.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 1
- Complexity
- 502
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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