Basic information
- CAS
75392-23-3- Standard SMILES
O=[N+]([O-])c1ccc2[nH]cc(C3=CC[NH2+]CC3)c2c1.[Cl-]- InChIKey
DSCNSPUAQOOMAV-UHFFFAOYSA-N- Molecular formula
- C13H14ClN3O2
- Average molar mass
- 279.72 g/mol
- Monoisotopic mass
- 279.0774544
Names & identifiers
- Preferred name
- 5-Nitro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole--hydrogen chloride (1/1)
- IUPAC
- 5-nitro-3-(1,2,3,6-tetrahydropyridin-1-ium-4-yl)-1H-indole chloride
Names & synonyms
75392-23-3DTXSID109968445-Nitro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole--hydrogen chloride (1/1)RefChem:1073164DTXCID9014238565-Nitro-3-(1,2,3,6-tetrahydro-4-pyridinyl)-1H-indole hydrochloride1H-INDOLE, 5-NITRO-3-(1,2,3,6-TETRAHYDRO-4-PYRIDINYL)-, MONOHYDROCHLORIDE
Database identifiers
- CAS
75392-23-3- PubChem CID
- 53262
Properties
Computed structural properties
- Topological polar surface area
- 78.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 364
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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