Basic information
- Standard SMILES
CC[n+]1cc2c(O)c(OC)ccc2c2ccc3ccccc3c21.O=S(=O)([O-])O- InChIKey
OVCUUPSQXJDKQQ-UHFFFAOYSA-N- Molecular formula
- C20H19NO6S
- Average molar mass
- 401.4 g/mol
- Monoisotopic mass
- 401.0933085
Names & identifiers
- Preferred name
- 5-Ethyl-7-hydroxy-8-methoxy-benzo[c]phenanthridinium hydrogen sulfate
- IUPAC
- 5-ethyl-8-methoxybenzo[c]phenanthridin-5-ium-7-ol;hydrogen sulfate
Names & synonyms
SCHEMBL8316176OVCUUPSQXJDKQQ-UHFFFAOYSA-N5-ethyl-7-hydroxy-8-methoxy-benzo[c]phenanthridinium hydrogen sulfate
Database identifiers
- PubChem CID
- 21737549
Properties
Computed structural properties
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 490
Related reactions
1 records
Compound notes
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