3,7-Diazabicyclo(3.3.1)nonane, 3-(p-methoxybenzoyl)-7-methyl-, fumarate
Basic information
- CAS
70802-39-0- Standard SMILES
COc1ccc(C(=O)N2CC3CC(C2)C[NH+](C)C3)cc1.O=C([O-])/C=C\C(=O)O- InChIKey
NUBQDYNOSZGPAV-BTJKTKAUSA-N- Molecular formula
- C20H26N2O6
- Average molar mass
- 390.4 g/mol
- Monoisotopic mass
- 390.17908655
Names & identifiers
- Preferred name
- 3,7-Diazabicyclo(3.3.1)nonane, 3-(p-methoxybenzoyl)-7-methyl-, fumarate
- IUPAC
- (Z)-4-hydroxy-4-oxobut-2-enoate;(4-methoxyphenyl)-(7-methyl-3-aza-7-azoniabicyclo[3.3.1]nonan-3-yl)methanone
Names & synonyms
3,7-DIAZABICYCLO(3.3.1)NONANE, 3-(p-METHOXYBENZOYL)-7-METHYL-, FUMARATE70802-39-0RefChem:10661233-(p-Methoxybenzoyl)-7-methylbispidine fumarate3-(p-Methoxybenzoyl)-7-methyl-3,7-diazabicyclo(3.3.1)nonane fumarate
Database identifiers
- CAS
70802-39-0- PubChem CID
- 6435129
Properties
Computed structural properties
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 468
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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