Basic information
- CAS
4467-97-4- Standard SMILES
C[NH+]1CC[NH+](CCC=C2c3ccccc3CCc3ccccc32)CC1.[Cl-].[Cl-]- InChIKey
VJUCWUUMOWVBFW-UHFFFAOYSA-N- Molecular formula
- C23H30Cl2N2
- Average molar mass
- 405.4 g/mol
- Monoisotopic mass
- 404.1786044
Names & identifiers
- Preferred name
- 5H-Dibenzo(a,d)cycloheptene, 10,11-dihydro-5-(3-(4-methylpiperazinyl)propylidene)-, dihydrochloride
- IUPAC
- 1-methyl-4-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]piperazine-1,4-diium dichloride
Names & synonyms
4467-97-45H-Dibenzo(a,d)cycloheptene, 10,11-dihydro-5-(3-(4-methylpiperazinyl)propylidene)-, dihydrochlorideRefChem:305558
Database identifiers
- CAS
4467-97-4- PubChem CID
- 20541
Properties
Computed structural properties
- Topological polar surface area
- 8.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 423
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…