1H-Indole, 5-chloro-3-(1-(cyclopropylmethyl)-1,2,3,6-tetrahydro-4-pyridinyl)-, monohydrochloride
Basic information
- CAS
72808-85-6- Standard SMILES
Clc1ccc2c(ccn2C2=CC[NH+](CC3CC3)CC2)c1.[Cl-]- InChIKey
CNBMAVQGMAXZRM-UHFFFAOYSA-N- Molecular formula
- C17H20Cl2N2
- Average molar mass
- 323.3 g/mol
- Monoisotopic mass
- 322.100354
Names & identifiers
- Preferred name
- 1H-Indole, 5-chloro-3-(1-(cyclopropylmethyl)-1,2,3,6-tetrahydro-4-pyridinyl)-, monohydrochloride
- IUPAC
- 5-chloro-1-[1-(cyclopropylmethyl)-1,2,3,6-tetrahydropyridin-1-ium-4-yl]indole chloride
Names & synonyms
72808-85-61H-Indole, 5-chloro-3-(1-(cyclopropylmethyl)-1,2,3,6-tetrahydro-4-pyridinyl)-, monohydrochlorideRefChem:10581745-Chloro-3-(1-(cyclopropylmethyl)-1,2,3,6-tetrahydro-4-pyridinyl)-1H-indole hydrochloride
Database identifiers
- CAS
72808-85-6- PubChem CID
- 51706
Properties
Computed structural properties
- Topological polar surface area
- 9.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 390
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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