3,4,5-Trimethoxy-9-azoniatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,8-pentaene
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Basic information
- Standard SMILES
COc1cc2c[n+]3c4c(c2c(OC)c1OC)CCCC4CC3- InChIKey
SZVZIZHXFGDJCS-UHFFFAOYSA-N- Molecular formula
- C18H22NO3+
- Average molar mass
- 300.4 g/mol
- Monoisotopic mass
- 300.15996856
Names & identifiers
- Preferred name
- 3,4,5-Trimethoxy-9-azoniatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,8-pentaene
- IUPAC
- 3,4,5-trimethoxy-9-azoniatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,8-pentaene
Names & synonyms
NCI60_035856CHEMBL2007951
Database identifiers
- PubChem CID
- 395429
- ChEMBL
CHEMBL2007951- Nikkaji
- J932.532H
Properties
Computed structural propertiesFilling in
- XLogP
- 3.2
- Topological polar surface area
- 31.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 1
- Complexity
- 404
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Compound notes
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