Basic information
- Standard SMILES
CN(CCc1ccccc1)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1.O=C(O)/C=C/C(=O)O- InChIKey
ZJDRCYXZZJEGSP-WLHGVMLRSA-N- Molecular formula
- C24H29N3O6
- Average molar mass
- 455.5 g/mol
- Monoisotopic mass
- 455.20563565
Names & identifiers
- Preferred name
- 4-(N-methyl-N-(2-phenylethyl)amino)-1-(4-nitrophenyl)piperidine fumarate
- IUPAC
- (E)-but-2-enedioic acid;N-methyl-1-(4-nitrophenyl)-N-(2-phenylethyl)piperidin-4-amine
Names & synonyms
SCHEMBL7300329ZJDRCYXZZJEGSP-WLHGVMLRSA-N4-(N-methyl-N-(2-phenylethyl)amino)-1-(4-nitrophenyl)piperidine fumarate
Database identifiers
- PubChem CID
- 19784377
Properties
Computed structural properties
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 523
Related reactions
1 records
Compound notes
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