Basic information
- CAS
37126-61-7- Standard SMILES
CC1(c2ccccc2)CN(CC[NH+]2CCOCC2)c2ccccc21.O=C([O-])C(=O)O- InChIKey
WDPGCGVTZBLBHS-UHFFFAOYSA-N- Molecular formula
- C23H28N2O5
- Average molar mass
- 412.5 g/mol
- Monoisotopic mass
- 412.199822
Names & identifiers
- Preferred name
- 1H-Indole, 2,3-dihydro-3-methyl-1-(2-morpholinoethyl)-3-phenyl-, oxalate
- IUPAC
- 2-hydroxy-2-oxoacetate;4-[2-(3-methyl-3-phenyl-2H-indol-1-yl)ethyl]morpholin-4-ium
Names & synonyms
2,3-Dihydro-3-methyl-1-(2-morpholinoethyl)-3-phenyl-1H-indole oxalate1H-INDOLE, 2,3-DIHYDRO-3-METHYL-1-(2-MORPHOLINOETHYL)-3-PHENYL-, OXALATE37126-61-7RefChem:238714
Database identifiers
- CAS
37126-61-7- PubChem CID
- 37655
Properties
Computed structural properties
- Topological polar surface area
- 94.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 481
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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