Basic information
- CAS
109793-76-2- Standard SMILES
O=[N+]([O-])c1ccc2[nH]cc(C3=CC[NH+](CC4CC4)CC3)c2c1.[Cl-]- InChIKey
OIMQESOYVVCCHB-UHFFFAOYSA-N- Molecular formula
- C17H20ClN3O2
- Average molar mass
- 333.8 g/mol
- Monoisotopic mass
- 333.1244046
Names & identifiers
- Preferred name
- 1H-Indole, 3-(1-(cyclopropylmethyl)-1,2,3,6-tetrahydro-4-pyridinyl)-5-nitro-, monohydrochloride
- IUPAC
- 3-[1-(cyclopropylmethyl)-1,2,3,6-tetrahydropyridin-1-ium-4-yl]-5-nitro-1H-indole chloride
- English name
- 1H-INDOLE, 3-(1-(CYCLOPROPYLMETHYL)-1,2,3,6-TETRAHYDRO-4-PYRIDINYL)-5- NITRO-, MO
- Molecular formula
- C17H20ClN3O2
- Molecular weight
- 333.8126
Names & synonyms
109793-76-21H-Indole, 3-(1-(cyclopropylmethyl)-1,2,3,6-tetrahydro-4-pyridinyl)-5-nitro-, monohydrochlorideRefChem:10581593-(1-(Cyclopropylmethyl)-1,2,3,6-tetrahydro-4-pyridinyl)-5-nitro-1H-indole hydrochloride3-[1-(cyclopropylmethyl)-1,2,3,6-tetrahydropyridin-1-ium-4-yl]-5-nitro-1H-indole;chloride1H-INDOLE, 3-(1-(CYCLOPROPYLMETHYL)-1,2,3,6-TETRAHYDRO-4-PYRIDINYL)-5- NITRO-, MO
Database identifiers
- CAS
109793-76-2- PubChem CID
- 60375
Properties
Computed structural properties
- Topological polar surface area
- 66.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 469
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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