Basic information
- CAS
19616-02-5- Standard SMILES
CC(=O)[O-].[NH3+]CCc1c[nH]c2ccc(OC(=O)c3ccncc3)cc12- InChIKey
DLITZRGRIFXSCX-UHFFFAOYSA-N- Molecular formula
- C18H19N3O4
- Average molar mass
- 341.4 g/mol
- Monoisotopic mass
- 341.1375561
Names & identifiers
- Preferred name
- Isonicotinic acid, 3-(2-aminoethyl)indol-5-yl ester, monoacetate
- IUPAC
- 2-[5-(pyridine-4-carbonyloxy)-1H-indol-3-yl]ethylazanium acetate
Names & synonyms
19616-02-5ISONICOTINIC ACID, 3-(2-AMINOETHYL)INDOL-5-YL ESTER, MONOACETATERefChem:10876173-(2-Aminoethyl)indol-5-yl ester of isonicotinic acid acetate
Database identifiers
- CAS
19616-02-5- PubChem CID
- 29685
Properties
Computed structural properties
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 383
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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