2'-Amidinospiro[benzofuran-2(3H),4'(2'H)-isoquinoline] nitrate
Basic information
- Standard SMILES
N=C(N)N1Cc2ccccc2C2(Cc3ccccc3O2)C1.O=[N+]([O-])O- InChIKey
IHRRYHPQFUTGAU-UHFFFAOYSA-N- Molecular formula
- C17H18N4O4
- Average molar mass
- 342.35 g/mol
Names & identifiers
- Preferred name
- 2'-Amidinospiro[benzofuran-2(3H),4'(2'H)-isoquinoline] nitrate
- IUPAC
- nitric acid;spiro[1,3-dihydroisoquinoline-4,2'-3H-1-benzofuran]-2-carboximidamide
Names & synonyms
SCHEMBL11171901IHRRYHPQFUTGAU-UHFFFAOYSA-N2'-Amidinospiro[benzofuran-2(3H),4'(2'H)-isoquinoline] nitrate
Database identifiers
- PubChem CID
- 15917472
Properties
Computed structural properties
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 451
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Related reactions
1 records
Compound notes
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