Basic information
- Standard SMILES
[Cl-].c1ccc(-c2n[nH]c3ncc4c(c23)CC[NH2+]C4)cc1- InChIKey
ZPVBAKSHKPTMPG-UHFFFAOYSA-N- Molecular formula
- C15H15ClN4
- Average molar mass
- 286.76 g/mol
- Monoisotopic mass
- 286.0985242
Names & identifiers
- Preferred name
- 1-phenyl-6,7,8,9-tetrahydro-3H-pyrazolo[3,4-c][2,7]naphthyridin-7-ium chloride
- IUPAC
- 1-phenyl-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c][2,7]naphthyridin-7-ium chloride
Names & synonyms
ZPVBAKSHKPTMPG-UHFFFAOYSA-N1-phenyl-6,7,8,9-tetrahydro-3H-pyrazolo[3,4-c][2,7]naphthyridin-7-ium chloride
Database identifiers
- PubChem CID
- 86645578
Properties
Computed structural properties
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 315
Related reactions
2 records
Compound notes
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