Isonipecotamide, 1-(2-(10,11-dihydrodibenzo(a,d)cyclohepten-5-ylidene)ethyl)-4-piperidino-, dihydrochloride
Basic information
- CAS
73826-54-7- Standard SMILES
NC(=O)C1([NH+]2CCCCC2)CC[NH+](CC=C2c3ccccc3C=Cc3ccccc32)CC1.[Cl-].[Cl-]- InChIKey
UALOHGDWLWLPFB-UHFFFAOYSA-N- Molecular formula
- C28H35Cl2N3O
- Average molar mass
- 500.5 g/mol
- Monoisotopic mass
- 499.2157181
Names & identifiers
- Preferred name
- Isonipecotamide, 1-(2-(10,11-dihydrodibenzo(a,d)cyclohepten-5-ylidene)ethyl)-4-piperidino-, dihydrochloride
- IUPAC
- 4-piperidin-1-ium-1-yl-1-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)ethyl]piperidin-1-ium-4-carboxamide dichloride
Names & synonyms
73826-54-7Isonipecotamide, 1-(2-(10,11-dihydrodibenzo(a,d)cyclohepten-5-ylidene)ethyl)-4-piperidino-, dihydrochlorideRefChem:349707
Database identifiers
- CAS
73826-54-7- PubChem CID
- 52626
Properties
Computed structural properties
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 686
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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